[4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-2-pyridinyl]methanamine

C15H15N5 — CID 114325438

IUPAC[4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-2-pyridinyl]methanamine
SMILESCc1nnc(-c2ccnc(CN)c2)n1-c1ccccc1
InChIInChI=1S/C15H15N5/c1-11-18-19-15(12-7-8-17-13(9-12)10-16)20(11)14-5-3-2-4-6-14/h2-9H,10,16H2,1H3
InChIKeyKHQBZAWPBNQOOU-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.10
Rot. Bonds3

About [4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-2-pyridinyl]methanamine

[4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-2-pyridinyl]methanamine (PubChem CID 114325438) has the molecular formula C15H15N5 and a molecular weight of 265.32 g/mol. Its IUPAC name is [4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-2-pyridinyl]methanamine
PubChem CID114325438
Molecular FormulaC15H15N5
Molecular Weight265.32 g/mol
Exact Mass265.13
IUPAC Name[4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-2-pyridinyl]methanamine
SMILESCc1nnc(-c2ccnc(CN)c2)n1-c1ccccc1
InChIInChI=1S/C15H15N5/c1-11-18-19-15(12-7-8-17-13(9-12)10-16)20(11)14-5-3-2-4-6-14/h2-9H,10,16H2,1H3
InChIKeyKHQBZAWPBNQOOU-UHFFFAOYSA-N
XLogP2.10
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]methanamine
CID 114325434
tris(3-methyl-4,5-diphenyl-1,2,4-triazole);ruthenium(3+)
CID 158954413
2-amino-5-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)phenol
CID 61360966
[4-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]methanamine
CID 114324859
[4-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-2-pyridinyl]methanamine
CID 114324856
3,5-bis(3-methylphenyl)-4-phenyl-1,2,4-triazole
CID 58390339
[5-(3-chloro-4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]methanamine
CID 115943875
5-[2-(aminomethyl)-4-pyridinyl]-N,4-diethyl-1,2,4-triazol-3-amine
CID 112597554
2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamine
CID 82044169
9-[4-[5-(2-carbazol-9-yl-4-pyridinyl)-4-phenyl-1,2,4-triazol-3-yl]-2-pyridinyl]carbazole
CID 58500998
[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]methanamine
CID 115943885
3,5-bis(3,5-dimethylphenyl)-4-phenyl-1,2,4-triazole
CID 58609348

Frequently Asked Questions

What is the IUPAC name of [4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-2-pyridinyl]methanamine?
The IUPAC name of [4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-2-pyridinyl]methanamine (CID 114325438) is [4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-2-pyridinyl]methanamine.
What is the SMILES notation for [4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-2-pyridinyl]methanamine?
The canonical SMILES for [4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-2-pyridinyl]methanamine is Cc1nnc(-c2ccnc(CN)c2)n1-c1ccccc1.
What is the InChIKey of [4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-2-pyridinyl]methanamine?
The InChIKey is KHQBZAWPBNQOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5/c1-11-18-19-15(12-7-8-17-13(9-12)10-16)20(11)14-5-3-2-4-6-14/h2-9H,10,16H2,1H3.
What are the key properties of [4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-2-pyridinyl]methanamine?
[4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-2-pyridinyl]methanamine has a molecular weight of 265.32 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-2-pyridinyl]methanamine is sourced from PubChem (CID 114325438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).