3-(2-methyl-1-phenylbutyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine

C17H24N4 — CID 116532770

IUPAC3-(2-methyl-1-phenylbutyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
SMILESCCC(C)C(c1ccccc1)c1nnc2n1CC(N)CC2
InChIInChI=1S/C17H24N4/c1-3-12(2)16(13-7-5-4-6-8-13)17-20-19-15-10-9-14(18)11-21(15)17/h4-8,12,14,16H,3,9-11,18H2,1-2H3
InChIKeyZYJRESPTGLQTCU-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.73
Rot. Bonds4

About 3-(2-methyl-1-phenylbutyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine

3-(2-methyl-1-phenylbutyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine (PubChem CID 116532770) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 3-(2-methyl-1-phenylbutyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine.

Molecular Properties

Compound Name3-(2-methyl-1-phenylbutyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
PubChem CID116532770
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name3-(2-methyl-1-phenylbutyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
SMILESCCC(C)C(c1ccccc1)c1nnc2n1CC(N)CC2
InChIInChI=1S/C17H24N4/c1-3-12(2)16(13-7-5-4-6-8-13)17-20-19-15-10-9-14(18)11-21(15)17/h4-8,12,14,16H,3,9-11,18H2,1-2H3
InChIKeyZYJRESPTGLQTCU-UHFFFAOYSA-N
XLogP2.73
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2-methyl-1-phenylbutyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine with MolForge

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Related Compounds

[3-(1-phenylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol
CID 105391879
3-(chloromethyl)-4-ethyl-5-(2-methyl-1-phenylbutyl)-1,2,4-triazole
CID 115398083
[6-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-phenylmethanol
CID 105392234
[6-(hydroxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-phenylmethanol
CID 105391953
4-methyl-3-(2-methyl-1-phenylbutyl)-1,2,4-triazole
CID 113301354
3-(2-phenylpropan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 116532748
3-(2-phenoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 116532725
3-[methoxy(phenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 81494334
4-(6-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-2-ol
CID 116532738
N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-phenylethanamine
CID 43748158
(6S)-3-bromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine
CID 124510269
3-(cyclobutylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 103167701

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-1-phenylbutyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The IUPAC name of 3-(2-methyl-1-phenylbutyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine (CID 116532770) is 3-(2-methyl-1-phenylbutyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine.
What is the SMILES notation for 3-(2-methyl-1-phenylbutyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The canonical SMILES for 3-(2-methyl-1-phenylbutyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine is CCC(C)C(c1ccccc1)c1nnc2n1CC(N)CC2.
What is the InChIKey of 3-(2-methyl-1-phenylbutyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The InChIKey is ZYJRESPTGLQTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-3-12(2)16(13-7-5-4-6-8-13)17-20-19-15-10-9-14(18)11-21(15)17/h4-8,12,14,16H,3,9-11,18H2,1-2H3.
What are the key properties of 3-(2-methyl-1-phenylbutyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
3-(2-methyl-1-phenylbutyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine has a molecular weight of 284.41 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-1-phenylbutyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine is sourced from PubChem (CID 116532770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).