2-(pyridine-4-carboximidoyl)-4-(triazol-1-yl)aniline

C14H12N6 — CID 87918756

IUPAC2-(pyridine-4-carboximidoyl)-4-(triazol-1-yl)aniline
SMILES[H]/N=C(\c1ccncc1)c1cc(-n2ccnn2)ccc1N
InChIInChI=1S/C14H12N6/c15-13-2-1-11(20-8-7-18-19-20)9-12(13)14(16)10-3-5-17-6-4-10/h1-9,16H,15H2/b16-14+
InChIKeyPKVFSZCEVOOONW-JQIJEIRASA-N
MW264.29 g/mol
LogP1.66
Rot. Bonds3

About 2-(pyridine-4-carboximidoyl)-4-(triazol-1-yl)aniline

2-(pyridine-4-carboximidoyl)-4-(triazol-1-yl)aniline (PubChem CID 87918756) has the molecular formula C14H12N6 and a molecular weight of 264.29 g/mol. Its IUPAC name is 2-(pyridine-4-carboximidoyl)-4-(triazol-1-yl)aniline.

Molecular Properties

Compound Name2-(pyridine-4-carboximidoyl)-4-(triazol-1-yl)aniline
PubChem CID87918756
Molecular FormulaC14H12N6
Molecular Weight264.29 g/mol
Exact Mass264.11
IUPAC Name2-(pyridine-4-carboximidoyl)-4-(triazol-1-yl)aniline
SMILES[H]/N=C(\c1ccncc1)c1cc(-n2ccnn2)ccc1N
InChIInChI=1S/C14H12N6/c15-13-2-1-11(20-8-7-18-19-20)9-12(13)14(16)10-3-5-17-6-4-10/h1-9,16H,15H2/b16-14+
InChIKeyPKVFSZCEVOOONW-JQIJEIRASA-N
XLogP1.66
TPSA93.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(pyridine-4-carboximidoyl)-4-(triazol-1-yl)aniline?
The IUPAC name of 2-(pyridine-4-carboximidoyl)-4-(triazol-1-yl)aniline (CID 87918756) is 2-(pyridine-4-carboximidoyl)-4-(triazol-1-yl)aniline.
What is the SMILES notation for 2-(pyridine-4-carboximidoyl)-4-(triazol-1-yl)aniline?
The canonical SMILES for 2-(pyridine-4-carboximidoyl)-4-(triazol-1-yl)aniline is [H]/N=C(\c1ccncc1)c1cc(-n2ccnn2)ccc1N.
What is the InChIKey of 2-(pyridine-4-carboximidoyl)-4-(triazol-1-yl)aniline?
The InChIKey is PKVFSZCEVOOONW-JQIJEIRASA-N. The full InChI is InChI=1S/C14H12N6/c15-13-2-1-11(20-8-7-18-19-20)9-12(13)14(16)10-3-5-17-6-4-10/h1-9,16H,15H2/b16-14+.
What are the key properties of 2-(pyridine-4-carboximidoyl)-4-(triazol-1-yl)aniline?
2-(pyridine-4-carboximidoyl)-4-(triazol-1-yl)aniline has a molecular weight of 264.29 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridine-4-carboximidoyl)-4-(triazol-1-yl)aniline is sourced from PubChem (CID 87918756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).