3-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-amine

C11H14N4O — CID 117144169

IUPAC3-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-amine
SMILESNc1ccn2c(CC3CCCO3)nnc2c1
InChIInChI=1S/C11H14N4O/c12-8-3-4-15-10(6-8)13-14-11(15)7-9-2-1-5-16-9/h3-4,6,9H,1-2,5,7,12H2
InChIKeyHQPJLWDCTFJPIC-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.03
Rot. Bonds2

About 3-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-amine

3-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-amine (PubChem CID 117144169) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-amine.

Molecular Properties

Compound Name3-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-amine
PubChem CID117144169
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name3-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-amine
SMILESNc1ccn2c(CC3CCCO3)nnc2c1
InChIInChI=1S/C11H14N4O/c12-8-3-4-15-10(6-8)13-14-11(15)7-9-2-1-5-16-9/h3-4,6,9H,1-2,5,7,12H2
InChIKeyHQPJLWDCTFJPIC-UHFFFAOYSA-N
XLogP1.03
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde
CID 117143568
3-(piperidin-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-amine
CID 117143951
2-(oxolan-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine
CID 117134413
6-bromo-3-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117139205
3-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-amine
CID 117150062
3-(oxan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-5-carbaldehyde
CID 117141070
3-(oxan-2-ylmethyl)imidazo[1,5-a]pyridin-7-ol
CID 117144223
2-(oxolan-2-ylmethyl)pyrimidin-5-amine
CID 43142229
2-ethyl-1-[2-(oxolan-2-yl)ethyl]benzimidazol-5-amine
CID 55080127
[1-ethyl-2-(oxolan-2-ylmethyl)benzimidazol-5-yl]methanamine
CID 65159867
3-(oxolan-2-ylmethyl)-4-propan-2-yl-1,2,4-triazole
CID 115393989
6-methyl-3-(oxan-2-ylmethyl)imidazo[1,5-a]pyridine
CID 117139265

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-amine?
The IUPAC name of 3-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-amine (CID 117144169) is 3-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-amine.
What is the SMILES notation for 3-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-amine?
The canonical SMILES for 3-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-amine is Nc1ccn2c(CC3CCCO3)nnc2c1.
What is the InChIKey of 3-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-amine?
The InChIKey is HQPJLWDCTFJPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c12-8-3-4-15-10(6-8)13-14-11(15)7-9-2-1-5-16-9/h3-4,6,9H,1-2,5,7,12H2.
What are the key properties of 3-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-amine?
3-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-amine has a molecular weight of 218.26 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-amine is sourced from PubChem (CID 117144169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).