1-(8-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine

C9H12N4 — CID 83866519

IUPAC1-(8-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
SMILESCc1cccn2c(C(C)N)nnc12
InChIInChI=1S/C9H12N4/c1-6-4-3-5-13-8(6)11-12-9(13)7(2)10/h3-5,7H,10H2,1-2H3
InChIKeyKDKSVFJWGRXISQ-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.06
Rot. Bonds1

About 1-(8-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine

1-(8-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine (PubChem CID 83866519) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is 1-(8-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine.

Molecular Properties

Compound Name1-(8-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
PubChem CID83866519
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name1-(8-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
SMILESCc1cccn2c(C(C)N)nnc12
InChIInChI=1S/C9H12N4/c1-6-4-3-5-13-8(6)11-12-9(13)7(2)10/h3-5,7H,10H2,1-2H3
InChIKeyKDKSVFJWGRXISQ-UHFFFAOYSA-N
XLogP1.06
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-8-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 55267696
8-methyl-3-propyl-[1,2,4]triazolo[4,3-a]pyridine
CID 117147073
2-amino-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)ethanone
CID 83836581
3-(8-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline
CID 82058636
3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboximidamide
CID 83881575
1-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)ethanamine
CID 83866552
3-(diaminomethyl)-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 118424269
1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 83870127
3-(3-bromophenyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 117147131
2,2-dimethyl-1-(8-methylimidazo[1,2-a]pyridin-3-yl)propan-1-amine
CID 76849636
(1S)-1-(8-methylimidazo[1,2-a]pyridin-3-yl)propan-1-amine
CID 39122781
(1S)-2,2-dimethyl-1-(8-methylimidazo[1,2-a]pyridin-3-yl)propan-1-amine
CID 92858314

Frequently Asked Questions

What is the IUPAC name of 1-(8-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine?
The IUPAC name of 1-(8-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine (CID 83866519) is 1-(8-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine.
What is the SMILES notation for 1-(8-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine?
The canonical SMILES for 1-(8-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine is Cc1cccn2c(C(C)N)nnc12.
What is the InChIKey of 1-(8-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine?
The InChIKey is KDKSVFJWGRXISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c1-6-4-3-5-13-8(6)11-12-9(13)7(2)10/h3-5,7H,10H2,1-2H3.
What are the key properties of 1-(8-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine?
1-(8-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine has a molecular weight of 176.22 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine is sourced from PubChem (CID 83866519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).