2-(3-amino-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one

C10H14N4O — CID 43174990

IUPAC2-(3-amino-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCC(CN)Cn1nc2ccccn2c1=O
InChIInChI=1S/C10H14N4O/c1-8(6-11)7-14-10(15)13-5-3-2-4-9(13)12-14/h2-5,8H,6-7,11H2,1H3
InChIKeyABXRPOSEHHDSQW-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.09
Rot. Bonds3

About 2-(3-amino-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-(3-amino-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 43174990) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 2-(3-amino-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-(3-amino-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID43174990
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name2-(3-amino-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCC(CN)Cn1nc2ccccn2c1=O
InChIInChI=1S/C10H14N4O/c1-8(6-11)7-14-10(15)13-5-3-2-4-9(13)12-14/h2-5,8H,6-7,11H2,1H3
InChIKeyABXRPOSEHHDSQW-UHFFFAOYSA-N
XLogP0.09
TPSA65.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-(3-amino-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 43174990) is 2-(3-amino-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-(3-amino-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-(3-amino-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one is CC(CN)Cn1nc2ccccn2c1=O.
What is the InChIKey of 2-(3-amino-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is ABXRPOSEHHDSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-8(6-11)7-14-10(15)13-5-3-2-4-9(13)12-14/h2-5,8H,6-7,11H2,1H3.
What are the key properties of 2-(3-amino-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-(3-amino-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 206.25 g/mol, XLogP of 0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 43174990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).