(3-butan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine

C11H16N4 — CID 82506769

IUPAC(3-butan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine
SMILESCCC(C)c1nnc2ccc(CN)cn12
InChIInChI=1S/C11H16N4/c1-3-8(2)11-14-13-10-5-4-9(6-12)7-15(10)11/h4-5,7-8H,3,6,12H2,1-2H3
InChIKeyAYCNIMFMQUYQCH-UHFFFAOYSA-N
MW204.28 g/mol
LogP1.70
Rot. Bonds3

About (3-butan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine

(3-butan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine (PubChem CID 82506769) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is (3-butan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine.

Molecular Properties

Compound Name(3-butan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine
PubChem CID82506769
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name(3-butan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine
SMILESCCC(C)c1nnc2ccc(CN)cn12
InChIInChI=1S/C11H16N4/c1-3-8(2)11-14-13-10-5-4-9(6-12)7-15(10)11/h4-5,7-8H,3,6,12H2,1-2H3
InChIKeyAYCNIMFMQUYQCH-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-butan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-butan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine?
The IUPAC name of (3-butan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine (CID 82506769) is (3-butan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine.
What is the SMILES notation for (3-butan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine?
The canonical SMILES for (3-butan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine is CCC(C)c1nnc2ccc(CN)cn12.
What is the InChIKey of (3-butan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine?
The InChIKey is AYCNIMFMQUYQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c1-3-8(2)11-14-13-10-5-4-9(6-12)7-15(10)11/h4-5,7-8H,3,6,12H2,1-2H3.
What are the key properties of (3-butan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine?
(3-butan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine has a molecular weight of 204.28 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-butan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine is sourced from PubChem (CID 82506769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).