N-propan-2-yl-3-(triazol-1-yl)azetidine-1-carboxamide

C9H15N5O — CID 121183846

IUPACN-propan-2-yl-3-(triazol-1-yl)azetidine-1-carboxamide
SMILESCC(C)NC(=O)N1CC(n2ccnn2)C1
InChIInChI=1S/C9H15N5O/c1-7(2)11-9(15)13-5-8(6-13)14-4-3-10-12-14/h3-4,7-8H,5-6H2,1-2H3,(H,11,15)
InChIKeyHAXCZNMVIPNQDK-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.25
Rot. Bonds2

About N-propan-2-yl-3-(triazol-1-yl)azetidine-1-carboxamide

N-propan-2-yl-3-(triazol-1-yl)azetidine-1-carboxamide (PubChem CID 121183846) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is N-propan-2-yl-3-(triazol-1-yl)azetidine-1-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-3-(triazol-1-yl)azetidine-1-carboxamide
PubChem CID121183846
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC NameN-propan-2-yl-3-(triazol-1-yl)azetidine-1-carboxamide
SMILESCC(C)NC(=O)N1CC(n2ccnn2)C1
InChIInChI=1S/C9H15N5O/c1-7(2)11-9(15)13-5-8(6-13)14-4-3-10-12-14/h3-4,7-8H,5-6H2,1-2H3,(H,11,15)
InChIKeyHAXCZNMVIPNQDK-UHFFFAOYSA-N
XLogP0.25
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-propan-2-yl-3-(triazol-1-yl)azetidine-1-carboxamide 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-propan-2-yl-3-(triazol-1-yl)azetidine-1-carboxamide?
The IUPAC name of N-propan-2-yl-3-(triazol-1-yl)azetidine-1-carboxamide (CID 121183846) is N-propan-2-yl-3-(triazol-1-yl)azetidine-1-carboxamide.
What is the SMILES notation for N-propan-2-yl-3-(triazol-1-yl)azetidine-1-carboxamide?
The canonical SMILES for N-propan-2-yl-3-(triazol-1-yl)azetidine-1-carboxamide is CC(C)NC(=O)N1CC(n2ccnn2)C1.
What is the InChIKey of N-propan-2-yl-3-(triazol-1-yl)azetidine-1-carboxamide?
The InChIKey is HAXCZNMVIPNQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O/c1-7(2)11-9(15)13-5-8(6-13)14-4-3-10-12-14/h3-4,7-8H,5-6H2,1-2H3,(H,11,15).
What are the key properties of N-propan-2-yl-3-(triazol-1-yl)azetidine-1-carboxamide?
N-propan-2-yl-3-(triazol-1-yl)azetidine-1-carboxamide has a molecular weight of 209.25 g/mol, XLogP of 0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3-(triazol-1-yl)azetidine-1-carboxamide is sourced from PubChem (CID 121183846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).