4-(2-methyl-1H-triazol-3-yl)-2-(pyridine-4-carboximidoyl)aniline

C15H16N6 — CID 87918757

IUPAC4-(2-methyl-1H-triazol-3-yl)-2-(pyridine-4-carboximidoyl)aniline
SMILES[H]/N=C(\c1ccncc1)c1cc(N2C=CNN2C)ccc1N
InChIInChI=1S/C15H16N6/c1-20-19-8-9-21(20)12-2-3-14(16)13(10-12)15(17)11-4-6-18-7-5-11/h2-10,17,19H,16H2,1H3/b17-15+
InChIKeyHAIDSXNBOCJITM-BMRADRMJSA-N
MW280.33 g/mol
LogP1.72
Rot. Bonds3

About 4-(2-methyl-1H-triazol-3-yl)-2-(pyridine-4-carboximidoyl)aniline

4-(2-methyl-1H-triazol-3-yl)-2-(pyridine-4-carboximidoyl)aniline (PubChem CID 87918757) has the molecular formula C15H16N6 and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-(2-methyl-1H-triazol-3-yl)-2-(pyridine-4-carboximidoyl)aniline.

Molecular Properties

Compound Name4-(2-methyl-1H-triazol-3-yl)-2-(pyridine-4-carboximidoyl)aniline
PubChem CID87918757
Molecular FormulaC15H16N6
Molecular Weight280.33 g/mol
Exact Mass280.14
IUPAC Name4-(2-methyl-1H-triazol-3-yl)-2-(pyridine-4-carboximidoyl)aniline
SMILES[H]/N=C(\c1ccncc1)c1cc(N2C=CNN2C)ccc1N
InChIInChI=1S/C15H16N6/c1-20-19-8-9-21(20)12-2-3-14(16)13(10-12)15(17)11-4-6-18-7-5-11/h2-10,17,19H,16H2,1H3/b17-15+
InChIKeyHAIDSXNBOCJITM-BMRADRMJSA-N
XLogP1.72
TPSA81.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.72
H-Bond Donors ≤ 53
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 4-(2-methyl-1H-triazol-3-yl)-2-(pyridine-4-carboximidoyl)aniline?
The IUPAC name of 4-(2-methyl-1H-triazol-3-yl)-2-(pyridine-4-carboximidoyl)aniline (CID 87918757) is 4-(2-methyl-1H-triazol-3-yl)-2-(pyridine-4-carboximidoyl)aniline.
What is the SMILES notation for 4-(2-methyl-1H-triazol-3-yl)-2-(pyridine-4-carboximidoyl)aniline?
The canonical SMILES for 4-(2-methyl-1H-triazol-3-yl)-2-(pyridine-4-carboximidoyl)aniline is [H]/N=C(\c1ccncc1)c1cc(N2C=CNN2C)ccc1N.
What is the InChIKey of 4-(2-methyl-1H-triazol-3-yl)-2-(pyridine-4-carboximidoyl)aniline?
The InChIKey is HAIDSXNBOCJITM-BMRADRMJSA-N. The full InChI is InChI=1S/C15H16N6/c1-20-19-8-9-21(20)12-2-3-14(16)13(10-12)15(17)11-4-6-18-7-5-11/h2-10,17,19H,16H2,1H3/b17-15+.
What are the key properties of 4-(2-methyl-1H-triazol-3-yl)-2-(pyridine-4-carboximidoyl)aniline?
4-(2-methyl-1H-triazol-3-yl)-2-(pyridine-4-carboximidoyl)aniline has a molecular weight of 280.33 g/mol, XLogP of 1.72, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1H-triazol-3-yl)-2-(pyridine-4-carboximidoyl)aniline is sourced from PubChem (CID 87918757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).