N6-{2-[(7-Chloro[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)amino]ethyl}-3-nitropyridine-2,6-diamine

HCID 59312901
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Basic information

Standard SMILES
Nc1nc(NCCNc2nc(Cl)cc3ncnn23)ccc1[N+](=O)[O-]
InChIKey
UPESQFDCYWEIDE-UHFFFAOYSA-N
Molecular formula
C12H12ClN9O2
Average molar mass
349.73 g/mol

Names & identifiers

Preferred name
N6-{2-[(7-Chloro[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)amino]ethyl}-3-nitropyridine-2,6-diamine
IUPAC
6-N-[2-[(7-chloro-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)amino]ethyl]-3-nitropyridine-2,6-diamine

Names & synonyms

SCHEMBL10269912UPESQFDCYWEIDE-UHFFFAOYSA-NN6-{2-[(7-Chloro[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)amino]ethyl}-3-nitropyridine-2,6-diamine

Database identifiers

PubChem CID
59312901

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
152 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
9
Rotatable bonds
5
Heavy atoms
24

Related reactions

13 records
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Compound notes

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