3-(1-phenylethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine

C14H14N4 — CID 114028936

IUPAC3-(1-phenylethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
SMILESCC(c1ccccc1)c1nnc2ccc(N)cn12
InChIInChI=1S/C14H14N4/c1-10(11-5-3-2-4-6-11)14-17-16-13-8-7-12(15)9-18(13)14/h2-10H,15H2,1H3
InChIKeyDRXMQGHFHSYSBN-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.46
Rot. Bonds2

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

3-(1-phenylethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine (PubChem CID 114028936) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-(1-phenylethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine.

Molecular Properties

Compound Name3-(1-phenylethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
PubChem CID114028936
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name3-(1-phenylethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
SMILESCC(c1ccccc1)c1nnc2ccc(N)cn12
InChIInChI=1S/C14H14N4/c1-10(11-5-3-2-4-6-11)14-17-16-13-8-7-12(15)9-18(13)14/h2-10H,15H2,1H3
InChIKeyDRXMQGHFHSYSBN-UHFFFAOYSA-N
XLogP2.46
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-3-[(1R)-1-phenylethyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 130277420
1,3-dimethyl-5-[3-[(1R)-1-phenylethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2H-pyridin-2-ol
CID 137446618
3-(2-methylsulfanylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 79205858
6-phenyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 177308311
(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-phenylmethanamine
CID 65349324
6-benzyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 11776952
3-[(6-amino-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]butan-2-one
CID 82024661
3-N-benzyl-[1,2,4]triazolo[4,3-a]pyridine-3,6-diamine
CID 121260958
2-(6-amino-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenol
CID 137006538
6-N,6-N-dimethyl-2-(1-phenylethyl)imidazo[1,2-a]pyridine-3,6-diamine
CID 63618653
3-[hydroxy(phenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 62389871
3-(3,5-dimethylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 55087007

Frequently Asked Questions

What is the IUPAC name of 3-(1-phenylethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The IUPAC name of 3-(1-phenylethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine (CID 114028936) is 3-(1-phenylethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine.
What is the SMILES notation for 3-(1-phenylethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The canonical SMILES for 3-(1-phenylethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine is CC(c1ccccc1)c1nnc2ccc(N)cn12.
What is the InChIKey of 3-(1-phenylethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The InChIKey is DRXMQGHFHSYSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-10(11-5-3-2-4-6-11)14-17-16-13-8-7-12(15)9-18(13)14/h2-10H,15H2,1H3.
What are the key properties of 3-(1-phenylethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
3-(1-phenylethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine has a molecular weight of 238.29 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-phenylethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine is sourced from PubChem (CID 114028936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).