4-N-(6-imidazol-1-yl-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzene-1,4-diamine

C16H15N7 — CID 110455147

IUPAC4-N-(6-imidazol-1-yl-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzene-1,4-diamine
SMILESCc1cc(-n2ccnc2)cn2nc(Nc3ccc(N)cc3)nc12
InChIInChI=1S/C16H15N7/c1-11-8-14(22-7-6-18-10-22)9-23-15(11)20-16(21-23)19-13-4-2-12(17)3-5-13/h2-10H,17H2,1H3,(H,19,21)
InChIKeyWJWOFDMTAJTNKH-UHFFFAOYSA-N
MW305.35 g/mol
LogP2.55
Rot. Bonds3

About 4-N-(6-imidazol-1-yl-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzene-1,4-diamine

4-N-(6-imidazol-1-yl-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzene-1,4-diamine (PubChem CID 110455147) has the molecular formula C16H15N7 and a molecular weight of 305.35 g/mol. Its IUPAC name is 4-N-(6-imidazol-1-yl-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(6-imidazol-1-yl-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzene-1,4-diamine
PubChem CID110455147
Molecular FormulaC16H15N7
Molecular Weight305.35 g/mol
Exact Mass305.14
IUPAC Name4-N-(6-imidazol-1-yl-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzene-1,4-diamine
SMILESCc1cc(-n2ccnc2)cn2nc(Nc3ccc(N)cc3)nc12
InChIInChI=1S/C16H15N7/c1-11-8-14(22-7-6-18-10-22)9-23-15(11)20-16(21-23)19-13-4-2-12(17)3-5-13/h2-10H,17H2,1H3,(H,19,21)
InChIKeyWJWOFDMTAJTNKH-UHFFFAOYSA-N
XLogP2.55
TPSA86.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 52.55
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-(6-imidazol-1-yl-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzene-1,4-diamine?
The IUPAC name of 4-N-(6-imidazol-1-yl-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzene-1,4-diamine (CID 110455147) is 4-N-(6-imidazol-1-yl-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-(6-imidazol-1-yl-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzene-1,4-diamine?
The canonical SMILES for 4-N-(6-imidazol-1-yl-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzene-1,4-diamine is Cc1cc(-n2ccnc2)cn2nc(Nc3ccc(N)cc3)nc12.
What is the InChIKey of 4-N-(6-imidazol-1-yl-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzene-1,4-diamine?
The InChIKey is WJWOFDMTAJTNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7/c1-11-8-14(22-7-6-18-10-22)9-23-15(11)20-16(21-23)19-13-4-2-12(17)3-5-13/h2-10H,17H2,1H3,(H,19,21).
What are the key properties of 4-N-(6-imidazol-1-yl-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzene-1,4-diamine?
4-N-(6-imidazol-1-yl-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzene-1,4-diamine has a molecular weight of 305.35 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(6-imidazol-1-yl-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzene-1,4-diamine is sourced from PubChem (CID 110455147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).