4-(6-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-2-ol

C10H18N4O — CID 116532738

IUPAC4-(6-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-2-ol
SMILESCC(O)CCc1nnc2n1CC(N)CC2
InChIInChI=1S/C10H18N4O/c1-7(15)2-4-9-12-13-10-5-3-8(11)6-14(9)10/h7-8,15H,2-6,11H2,1H3
InChIKeyJNJFFRHMQWTUTO-UHFFFAOYSA-N
MW210.28 g/mol
LogP-0.14
Rot. Bonds3

About 4-(6-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-2-ol

4-(6-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-2-ol (PubChem CID 116532738) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 4-(6-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-2-ol.

Molecular Properties

Compound Name4-(6-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-2-ol
PubChem CID116532738
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name4-(6-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-2-ol
SMILESCC(O)CCc1nnc2n1CC(N)CC2
InChIInChI=1S/C10H18N4O/c1-7(15)2-4-9-12-13-10-5-3-8(11)6-14(9)10/h7-8,15H,2-6,11H2,1H3
InChIKeyJNJFFRHMQWTUTO-UHFFFAOYSA-N
XLogP-0.14
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(6-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-2-ol 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 4-(6-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-2-ol?
The IUPAC name of 4-(6-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-2-ol (CID 116532738) is 4-(6-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-2-ol.
What is the SMILES notation for 4-(6-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-2-ol?
The canonical SMILES for 4-(6-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-2-ol is CC(O)CCc1nnc2n1CC(N)CC2.
What is the InChIKey of 4-(6-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-2-ol?
The InChIKey is JNJFFRHMQWTUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-7(15)2-4-9-12-13-10-5-3-8(11)6-14(9)10/h7-8,15H,2-6,11H2,1H3.
What are the key properties of 4-(6-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-2-ol?
4-(6-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-2-ol has a molecular weight of 210.28 g/mol, XLogP of -0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-2-ol is sourced from PubChem (CID 116532738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).