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

C11H16N4 — CID 83882087

IUPAC3-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-8-yl)butan-1-amine
SMILESCC(C)C(CN)c1cccn2cnnc12
InChIInChI=1S/C11H16N4/c1-8(2)10(6-12)9-4-3-5-15-7-13-14-11(9)15/h3-5,7-8,10H,6,12H2,1-2H3
InChIKeyBYCXDEXWXDFUEJ-UHFFFAOYSA-N
MW204.28 g/mol
LogP1.43
Rot. Bonds3

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

3-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-8-yl)butan-1-amine (PubChem CID 83882087) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is 3-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-8-yl)butan-1-amine.

Molecular Properties

Compound Name3-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-8-yl)butan-1-amine
PubChem CID83882087
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name3-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-8-yl)butan-1-amine
SMILESCC(C)C(CN)c1cccn2cnnc12
InChIInChI=1S/C11H16N4/c1-8(2)10(6-12)9-4-3-5-15-7-13-14-11(9)15/h3-5,7-8,10H,6,12H2,1-2H3
InChIKeyBYCXDEXWXDFUEJ-UHFFFAOYSA-N
XLogP1.43
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-([1,2,4]triazolo[4,3-a]pyridin-8-yl)acetic acid
CID 83877948
[1,2,4]triazolo[4,3-a]pyridin-8-amine;dihydrochloride
CID 155978316
3,4,6,9-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,10-pentaene
CID 58518078
2-pyridin-2-yl-2-([1,2,4]triazolo[4,3-a]pyridin-8-yl)acetaldehyde
CID 138707243
N'-hydroxy-[1,2,4]triazolo[4,3-a]pyridine-8-carboximidamide
CID 83874676
8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 55267549
[1,2,4]triazolo[4,3-a]pyridine-8-carbaldehyde
CID 82417710
[1,2,4]triazolo[4,3-a]pyridine-8-carboximidamide
CID 83873031
3-methyl-2-quinolin-8-ylbutan-1-amine
CID 83886423
2-(2-bromo-3-methylphenyl)-3-methylbutan-1-amine
CID 83730937
8-iodo-7-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 155239872
8-(3-methylimidazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 68510837

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-8-yl)butan-1-amine?
The IUPAC name of 3-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-8-yl)butan-1-amine (CID 83882087) is 3-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-8-yl)butan-1-amine.
What is the SMILES notation for 3-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-8-yl)butan-1-amine?
The canonical SMILES for 3-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-8-yl)butan-1-amine is CC(C)C(CN)c1cccn2cnnc12.
What is the InChIKey of 3-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-8-yl)butan-1-amine?
The InChIKey is BYCXDEXWXDFUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c1-8(2)10(6-12)9-4-3-5-15-7-13-14-11(9)15/h3-5,7-8,10H,6,12H2,1-2H3.
What are the key properties of 3-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-8-yl)butan-1-amine?
3-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-8-yl)butan-1-amine has a molecular weight of 204.28 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-8-yl)butan-1-amine is sourced from PubChem (CID 83882087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).