1-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-phenylpropan-1-amine

C16H18N4 — CID 130374225

IUPAC1-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-phenylpropan-1-amine
SMILESCc1ccc2nnc(C(N)CCc3ccccc3)n2c1
InChIInChI=1S/C16H18N4/c1-12-7-10-15-18-19-16(20(15)11-12)14(17)9-8-13-5-3-2-4-6-13/h2-7,10-11,14H,8-9,17H2,1H3
InChIKeyUFDLZHZNCFXUSI-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.67
Rot. Bonds4

About 1-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-phenylpropan-1-amine

1-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-phenylpropan-1-amine (PubChem CID 130374225) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 1-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-phenylpropan-1-amine.

Molecular Properties

Compound Name1-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-phenylpropan-1-amine
PubChem CID130374225
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name1-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-phenylpropan-1-amine
SMILESCc1ccc2nnc(C(N)CCc3ccccc3)n2c1
InChIInChI=1S/C16H18N4/c1-12-7-10-15-18-19-16(20(15)11-12)14(17)9-8-13-5-3-2-4-6-13/h2-7,10-11,14H,8-9,17H2,1H3
InChIKeyUFDLZHZNCFXUSI-UHFFFAOYSA-N
XLogP2.67
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-3-phenylpropan-1-amine
CID 114917863
(1S)-1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-3-phenylpropan-1-amine
CID 104983678
(1S)-1-(5-methyl-4-propyl-1,2,4-triazol-3-yl)-3-phenylpropan-1-amine
CID 104983677
6-benzyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 11776952
1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-phenylpropan-1-amine
CID 114920922
2-amino-2-methyl-N-[(1S)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]propanamide
CID 10044493
3-amino-3-methyl-N-[(1R)-3-phenyl-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propyl]butanamide
CID 58784011
3-[2-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]aniline
CID 82058656
1-(2-methylphenyl)-3-phenylpropan-1-amine
CID 54919026
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-methyl-2-(2-phenylethyl)butanoate
CID 166185848
4-(4-methylphenyl)-1-phenylbutan-2-amine
CID 55084075
6-methyl-3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117139519

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-phenylpropan-1-amine?
The IUPAC name of 1-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-phenylpropan-1-amine (CID 130374225) is 1-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-phenylpropan-1-amine.
What is the SMILES notation for 1-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-phenylpropan-1-amine?
The canonical SMILES for 1-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-phenylpropan-1-amine is Cc1ccc2nnc(C(N)CCc3ccccc3)n2c1.
What is the InChIKey of 1-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-phenylpropan-1-amine?
The InChIKey is UFDLZHZNCFXUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-12-7-10-15-18-19-16(20(15)11-12)14(17)9-8-13-5-3-2-4-6-13/h2-7,10-11,14H,8-9,17H2,1H3.
What are the key properties of 1-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-phenylpropan-1-amine?
1-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-phenylpropan-1-amine has a molecular weight of 266.35 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-phenylpropan-1-amine is sourced from PubChem (CID 130374225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).