1-(2-methoxy-4-nitrophenyl)-3-methyl-1H-1,2,4-triazole

HCID 59577788
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Basic information

Standard SMILES
COc1cc([N+](=O)[O-])ccc1-n1cnc(C)n1
InChIKey
CCLWURIPFUHRBY-UHFFFAOYSA-N
Molecular formula
C10H10N4O3
Average molar mass
234.21 g/mol
Monoisotopic mass
234.07529019

Names & identifiers

Preferred name
1-(2-methoxy-4-nitrophenyl)-3-methyl-1H-1,2,4-triazole
IUPAC
1-(2-methoxy-4-nitrophenyl)-3-methyl-1,2,4-triazole

Names & synonyms

1-(2-methoxy-4-nitrophenyl)-3-methyl-1H-1,2,4-triazole1185019-82-2MFCD263948811-(2-Methoxy-4-nitro-phenyl)-3-methyl-1H-[1,2,4]triazoleSCHEMBL513295WLZ3743CCLWURIPFUHRBY-UHFFFAOYSA-NAS-93029SY295945DB-290601G71924F553997

Database identifiers

PubChem CID
59577788

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
85.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
17

Related reactions

10 records
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Linked notes

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