6-(aminomethyl)-3-propan-2-yl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one

C9H13N5O — CID 83883152

IUPAC6-(aminomethyl)-3-propan-2-yl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one
SMILESCC(C)c1n[nH]c2ncc(CN)c(=O)n12
InChIInChI=1S/C9H13N5O/c1-5(2)7-12-13-9-11-4-6(3-10)8(15)14(7)9/h4-5H,3,10H2,1-2H3,(H,11,13)
InChIKeyQITSCTPGGMXRLF-UHFFFAOYSA-N
MW207.24 g/mol
LogP-0.00
Rot. Bonds2

About 6-(aminomethyl)-3-propan-2-yl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one

6-(aminomethyl)-3-propan-2-yl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one (PubChem CID 83883152) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is 6-(aminomethyl)-3-propan-2-yl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-(aminomethyl)-3-propan-2-yl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one
PubChem CID83883152
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC Name6-(aminomethyl)-3-propan-2-yl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one
SMILESCC(C)c1n[nH]c2ncc(CN)c(=O)n12
InChIInChI=1S/C9H13N5O/c1-5(2)7-12-13-9-11-4-6(3-10)8(15)14(7)9/h4-5H,3,10H2,1-2H3,(H,11,13)
InChIKeyQITSCTPGGMXRLF-UHFFFAOYSA-N
XLogP-0.00
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(aminomethyl)-3-propan-2-yl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one 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 6-(aminomethyl)-3-propan-2-yl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one?
The IUPAC name of 6-(aminomethyl)-3-propan-2-yl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one (CID 83883152) is 6-(aminomethyl)-3-propan-2-yl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one.
What is the SMILES notation for 6-(aminomethyl)-3-propan-2-yl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one?
The canonical SMILES for 6-(aminomethyl)-3-propan-2-yl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one is CC(C)c1n[nH]c2ncc(CN)c(=O)n12.
What is the InChIKey of 6-(aminomethyl)-3-propan-2-yl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one?
The InChIKey is QITSCTPGGMXRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c1-5(2)7-12-13-9-11-4-6(3-10)8(15)14(7)9/h4-5H,3,10H2,1-2H3,(H,11,13).
What are the key properties of 6-(aminomethyl)-3-propan-2-yl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one?
6-(aminomethyl)-3-propan-2-yl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one has a molecular weight of 207.24 g/mol, XLogP of -0.00, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-3-propan-2-yl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one is sourced from PubChem (CID 83883152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).