1-phenyl-1-pyridin-4-yl-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine

C15H15N5 — CID 60979173

IUPAC1-phenyl-1-pyridin-4-yl-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
SMILESc1ccc(C(NCc2ncn[nH]2)c2ccncc2)cc1
InChIInChI=1S/C15H15N5/c1-2-4-12(5-3-1)15(13-6-8-16-9-7-13)17-10-14-18-11-19-20-14/h1-9,11,15,17H,10H2,(H,18,19,20)
InChIKeyXYQBJBYLBSVARW-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.08
Rot. Bonds5

About 1-phenyl-1-pyridin-4-yl-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine

1-phenyl-1-pyridin-4-yl-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine (PubChem CID 60979173) has the molecular formula C15H15N5 and a molecular weight of 265.32 g/mol. Its IUPAC name is 1-phenyl-1-pyridin-4-yl-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine.

Molecular Properties

Compound Name1-phenyl-1-pyridin-4-yl-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
PubChem CID60979173
Molecular FormulaC15H15N5
Molecular Weight265.32 g/mol
Exact Mass265.13
IUPAC Name1-phenyl-1-pyridin-4-yl-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
SMILESc1ccc(C(NCc2ncn[nH]2)c2ccncc2)cc1
InChIInChI=1S/C15H15N5/c1-2-4-12(5-3-1)15(13-6-8-16-9-7-13)17-10-14-18-11-19-20-14/h1-9,11,15,17H,10H2,(H,18,19,20)
InChIKeyXYQBJBYLBSVARW-UHFFFAOYSA-N
XLogP2.08
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-imidazol-5-ylmethyl)-1-phenyl-1-pyridin-4-ylmethanamine
CID 63109462
2-phenyl-N-(1H-1,2,4-triazol-5-ylmethyl)propan-1-amine
CID 60978760
1-pyridin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine
CID 60978592
1-phenyl-1-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 115732172
N-[(1-methylimidazol-2-yl)methyl]-1-phenyl-1-pyridin-4-ylmethanamine
CID 43408958
N-[(5-methylthiophen-2-yl)methyl]-1-phenyl-1-pyridin-4-ylmethanamine
CID 60664173
(1R)-2-[[(R)-phenyl(pyridin-4-yl)methyl]amino]-1-pyridin-4-ylethanol
CID 99852293
2-[2-[[[phenyl(pyridin-4-yl)methyl]amino]methyl]phenoxy]ethanol
CID 110010842
1-[[phenyl(pyridin-4-yl)methyl]amino]propan-2-ol
CID 43608190
N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine
CID 61253577
(2R)-1-[[phenyl(pyridin-4-yl)methyl]amino]propan-2-ol
CID 113357070
1-(2-bromophenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine
CID 60978097

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-1-pyridin-4-yl-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine?
The IUPAC name of 1-phenyl-1-pyridin-4-yl-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine (CID 60979173) is 1-phenyl-1-pyridin-4-yl-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine.
What is the SMILES notation for 1-phenyl-1-pyridin-4-yl-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine?
The canonical SMILES for 1-phenyl-1-pyridin-4-yl-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine is c1ccc(C(NCc2ncn[nH]2)c2ccncc2)cc1.
What is the InChIKey of 1-phenyl-1-pyridin-4-yl-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine?
The InChIKey is XYQBJBYLBSVARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5/c1-2-4-12(5-3-1)15(13-6-8-16-9-7-13)17-10-14-18-11-19-20-14/h1-9,11,15,17H,10H2,(H,18,19,20).
What are the key properties of 1-phenyl-1-pyridin-4-yl-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine?
1-phenyl-1-pyridin-4-yl-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine has a molecular weight of 265.32 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-1-pyridin-4-yl-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine is sourced from PubChem (CID 60979173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).