3-N-phenyl-1-pyridin-4-yl-1,2,4-triazole-3,5-diamine

C13H12N6 — CID 58976315

IUPAC3-N-phenyl-1-pyridin-4-yl-1,2,4-triazole-3,5-diamine
SMILESNc1nc(Nc2ccccc2)nn1-c1ccncc1
InChIInChI=1S/C13H12N6/c14-12-17-13(16-10-4-2-1-3-5-10)18-19(12)11-6-8-15-9-7-11/h1-9H,(H3,14,16,17,18)
InChIKeyGVRJVQUEDNLLAM-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.99
Rot. Bonds3

About 3-N-phenyl-1-pyridin-4-yl-1,2,4-triazole-3,5-diamine

3-N-phenyl-1-pyridin-4-yl-1,2,4-triazole-3,5-diamine (PubChem CID 58976315) has the molecular formula C13H12N6 and a molecular weight of 252.28 g/mol. Its IUPAC name is 3-N-phenyl-1-pyridin-4-yl-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name3-N-phenyl-1-pyridin-4-yl-1,2,4-triazole-3,5-diamine
PubChem CID58976315
Molecular FormulaC13H12N6
Molecular Weight252.28 g/mol
Exact Mass252.11
IUPAC Name3-N-phenyl-1-pyridin-4-yl-1,2,4-triazole-3,5-diamine
SMILESNc1nc(Nc2ccccc2)nn1-c1ccncc1
InChIInChI=1S/C13H12N6/c14-12-17-13(16-10-4-2-1-3-5-10)18-19(12)11-6-8-15-9-7-11/h1-9H,(H3,14,16,17,18)
InChIKeyGVRJVQUEDNLLAM-UHFFFAOYSA-N
XLogP1.99
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-methoxyphenyl)-3-N-phenyl-1,2,4-triazole-3,5-diamine
CID 58976009
1-(4-methoxyphenyl)-3-N-(4-phenoxyphenyl)-1,2,4-triazole-3,5-diamine
CID 58975976
1-isoquinolin-3-yl-3-N-phenyl-1,2,4-triazole-3,5-diamine
CID 58976903
[(2R)-1-[4-(5-amino-3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]pyrrolidin-2-yl]methanol
CID 58976657
1-(6-anilino-2-methylsulfanylpyrimidin-4-yl)-3-N-phenyl-1,2,4-triazole-3,5-diamine
CID 58976348
3-N-phenyl-1-thieno[2,3-d]pyrimidin-4-yl-1,2,4-triazole-3,5-diamine
CID 58976331
N'-[4-[(1,5-diphenyl-1,2,4-triazol-3-yl)amino]benzoyl]pyridine-4-carbohydrazide
CID 18184881
ethane;1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)-3-N-phenyl-1,2,4-triazole-3,5-diamine
CID 91029394
3-N-(4-methoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine
CID 58976428
1-(6-anilinopyrimidin-4-yl)-3-N-(3-methoxyphenyl)-1,2,4-triazole-3,5-diamine
CID 58976644
3-N-(4-piperazin-1-ylphenyl)-1-pyrimidin-4-yl-1,2,4-triazole-3,5-diamine
CID 58976203
ethane;bis(3-N-ethyl-1-pyridin-4-yl-1,2,4-triazole-3,5-diamine);bis(5-N-ethyl-1-pyridin-4-yl-1,2,4-triazole-3,5-diamine);5-N-ethyl-1-pyrimidin-4-yl-1,2,4-triazole-3,5-diamine
CID 159134399

Frequently Asked Questions

What is the IUPAC name of 3-N-phenyl-1-pyridin-4-yl-1,2,4-triazole-3,5-diamine?
The IUPAC name of 3-N-phenyl-1-pyridin-4-yl-1,2,4-triazole-3,5-diamine (CID 58976315) is 3-N-phenyl-1-pyridin-4-yl-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 3-N-phenyl-1-pyridin-4-yl-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 3-N-phenyl-1-pyridin-4-yl-1,2,4-triazole-3,5-diamine is Nc1nc(Nc2ccccc2)nn1-c1ccncc1.
What is the InChIKey of 3-N-phenyl-1-pyridin-4-yl-1,2,4-triazole-3,5-diamine?
The InChIKey is GVRJVQUEDNLLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6/c14-12-17-13(16-10-4-2-1-3-5-10)18-19(12)11-6-8-15-9-7-11/h1-9H,(H3,14,16,17,18).
What are the key properties of 3-N-phenyl-1-pyridin-4-yl-1,2,4-triazole-3,5-diamine?
3-N-phenyl-1-pyridin-4-yl-1,2,4-triazole-3,5-diamine has a molecular weight of 252.28 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-phenyl-1-pyridin-4-yl-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 58976315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).