4-N-(7-pyrazol-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzene-1,4-diamine

C15H13N7 — CID 110455126

IUPAC4-N-(7-pyrazol-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzene-1,4-diamine
SMILESNc1ccc(Nc2nc3cc(-n4cccn4)ccn3n2)cc1
InChIInChI=1S/C15H13N7/c16-11-2-4-12(5-3-11)18-15-19-14-10-13(6-9-22(14)20-15)21-8-1-7-17-21/h1-10H,16H2,(H,18,20)
InChIKeyVDAZCNRWPWYVPJ-UHFFFAOYSA-N
MW291.32 g/mol
LogP2.24
Rot. Bonds3

About 4-N-(7-pyrazol-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzene-1,4-diamine

4-N-(7-pyrazol-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzene-1,4-diamine (PubChem CID 110455126) has the molecular formula C15H13N7 and a molecular weight of 291.32 g/mol. Its IUPAC name is 4-N-(7-pyrazol-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(7-pyrazol-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzene-1,4-diamine
PubChem CID110455126
Molecular FormulaC15H13N7
Molecular Weight291.32 g/mol
Exact Mass291.12
IUPAC Name4-N-(7-pyrazol-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzene-1,4-diamine
SMILESNc1ccc(Nc2nc3cc(-n4cccn4)ccn3n2)cc1
InChIInChI=1S/C15H13N7/c16-11-2-4-12(5-3-11)18-15-19-14-10-13(6-9-22(14)20-15)21-8-1-7-17-21/h1-10H,16H2,(H,18,20)
InChIKeyVDAZCNRWPWYVPJ-UHFFFAOYSA-N
XLogP2.24
TPSA86.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N-(7-pyrazol-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzene-1,4-diamine?
The IUPAC name of 4-N-(7-pyrazol-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzene-1,4-diamine (CID 110455126) is 4-N-(7-pyrazol-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-(7-pyrazol-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzene-1,4-diamine?
The canonical SMILES for 4-N-(7-pyrazol-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzene-1,4-diamine is Nc1ccc(Nc2nc3cc(-n4cccn4)ccn3n2)cc1.
What is the InChIKey of 4-N-(7-pyrazol-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzene-1,4-diamine?
The InChIKey is VDAZCNRWPWYVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N7/c16-11-2-4-12(5-3-11)18-15-19-14-10-13(6-9-22(14)20-15)21-8-1-7-17-21/h1-10H,16H2,(H,18,20).
What are the key properties of 4-N-(7-pyrazol-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzene-1,4-diamine?
4-N-(7-pyrazol-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzene-1,4-diamine has a molecular weight of 291.32 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(7-pyrazol-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzene-1,4-diamine is sourced from PubChem (CID 110455126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).