N-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylmethyl)propan-2-amine

C9H13N5 — CID 60836562

IUPACN-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylmethyl)propan-2-amine
SMILESCC(C)NCc1nnc2ncccn12
InChIInChI=1S/C9H13N5/c1-7(2)11-6-8-12-13-9-10-4-3-5-14(8)9/h3-5,7,11H,6H2,1-2H3
InChIKeyOQZIYHWBKPYMSB-UHFFFAOYSA-N
MW191.24 g/mol
LogP0.62
Rot. Bonds3

About N-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylmethyl)propan-2-amine

N-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylmethyl)propan-2-amine (PubChem CID 60836562) has the molecular formula C9H13N5 and a molecular weight of 191.24 g/mol. Its IUPAC name is N-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylmethyl)propan-2-amine
PubChem CID60836562
Molecular FormulaC9H13N5
Molecular Weight191.24 g/mol
Exact Mass191.12
IUPAC NameN-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylmethyl)propan-2-amine
SMILESCC(C)NCc1nnc2ncccn12
InChIInChI=1S/C9H13N5/c1-7(2)11-6-8-12-13-9-10-4-3-5-14(8)9/h3-5,7,11H,6H2,1-2H3
InChIKeyOQZIYHWBKPYMSB-UHFFFAOYSA-N
XLogP0.62
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.24
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylmethyl)propan-2-amine 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 N-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylmethyl)propan-2-amine?
The IUPAC name of N-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylmethyl)propan-2-amine (CID 60836562) is N-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylmethyl)propan-2-amine.
What is the SMILES notation for N-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylmethyl)propan-2-amine?
The canonical SMILES for N-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylmethyl)propan-2-amine is CC(C)NCc1nnc2ncccn12.
What is the InChIKey of N-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylmethyl)propan-2-amine?
The InChIKey is OQZIYHWBKPYMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5/c1-7(2)11-6-8-12-13-9-10-4-3-5-14(8)9/h3-5,7,11H,6H2,1-2H3.
What are the key properties of N-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylmethyl)propan-2-amine?
N-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylmethyl)propan-2-amine has a molecular weight of 191.24 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylmethyl)propan-2-amine is sourced from PubChem (CID 60836562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).