Benzenamine, 4-(1H-1,2,3-triazol-1-ylmethyl)-

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Basic information

CAS: 99590-26-8
Standard SMILES: Nc1ccc(Cn2ccnn2)cc1
InChIKey: CUSKJWJUMHRIHA-UHFFFAOYSA-N
Molecular formula: C9H10N4
Average molar mass: 174.2 g/mol
Monoisotopic mass: 174.09054634

Names & identifiers

Preferred name: Benzenamine, 4-(1H-1,2,3-triazol-1-ylmethyl)-
IUPAC: 4-(triazol-1-ylmethyl)aniline

Names & synonyms

99590-26-8Benzenamine, 4-(1H-1,2,3-triazol-1-ylmethyl)-4-(triazol-1-ylmethyl)aniline4-[(1H-1,2,3-triazol-1-yl)methyl]aniline4-((1H-1,2,3-Triazol-1-yl)methyl)aniline4-(1H-1,2,3-triazol-1-ylmethyl)BenzenamineNSC609504SCHEMBL3153071SCHEMBL6881194DTXSID70326688CUSKJWJUMHRIHA-UHFFFAOYSA-NAKOS000128483

Show more names

NSC-6095044-(1,2,3-triazol-1-yl-methyl)-anilineDB-080617EN300-3007559Z364002512Benzenamine, 4-(1H-1,2,3-triazol-1-ylmethyl)-, 99590-26-8, NSC609504, ACMC-20m2vc, AC1Q4XIH, SureCN3153071, 4-(triazol-1-ylmethyl)aniline, AC1L76O9, CTK3G7423, AKOS000128483, AG-C-58177, NSC-609504, 4-(1H-1,2,3-triazol-1-ylmethyl)aniline

Database identifiers

CAS: 99590-26-8
PubChem CID: 355576
DTXSID: DTXSID70326688
Nikkaji: J488.327F

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 56.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 154

Related reactions

1 records

New reaction record

HRID 1883873As reactantuspto-grants-2004_07

Compound notes

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