1-(1-acetylazetidin-3-yl)-N-(cyclopropylmethyl)triazole-4-carboxamide

C12H17N5O2 — CID 91911451

IUPAC1-(1-acetylazetidin-3-yl)-N-(cyclopropylmethyl)triazole-4-carboxamide
SMILESCC(=O)N1CC(n2cc(C(=O)NCC3CC3)nn2)C1
InChIInChI=1S/C12H17N5O2/c1-8(18)16-5-10(6-16)17-7-11(14-15-17)12(19)13-4-9-2-3-9/h7,9-10H,2-6H2,1H3,(H,13,19)
InChIKeyVERNEXFEGNWGHR-UHFFFAOYSA-N
MW263.30 g/mol
LogP-0.18
Rot. Bonds4

About 1-(1-acetylazetidin-3-yl)-N-(cyclopropylmethyl)triazole-4-carboxamide

1-(1-acetylazetidin-3-yl)-N-(cyclopropylmethyl)triazole-4-carboxamide (PubChem CID 91911451) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-(1-acetylazetidin-3-yl)-N-(cyclopropylmethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-(1-acetylazetidin-3-yl)-N-(cyclopropylmethyl)triazole-4-carboxamide
PubChem CID91911451
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name1-(1-acetylazetidin-3-yl)-N-(cyclopropylmethyl)triazole-4-carboxamide
SMILESCC(=O)N1CC(n2cc(C(=O)NCC3CC3)nn2)C1
InChIInChI=1S/C12H17N5O2/c1-8(18)16-5-10(6-16)17-7-11(14-15-17)12(19)13-4-9-2-3-9/h7,9-10H,2-6H2,1H3,(H,13,19)
InChIKeyVERNEXFEGNWGHR-UHFFFAOYSA-N
XLogP-0.18
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(1-acetylazetidin-3-yl)-N-(cyclopropylmethyl)triazole-4-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 1-(1-acetylazetidin-3-yl)-N-(cyclopropylmethyl)triazole-4-carboxamide?
The IUPAC name of 1-(1-acetylazetidin-3-yl)-N-(cyclopropylmethyl)triazole-4-carboxamide (CID 91911451) is 1-(1-acetylazetidin-3-yl)-N-(cyclopropylmethyl)triazole-4-carboxamide.
What is the SMILES notation for 1-(1-acetylazetidin-3-yl)-N-(cyclopropylmethyl)triazole-4-carboxamide?
The canonical SMILES for 1-(1-acetylazetidin-3-yl)-N-(cyclopropylmethyl)triazole-4-carboxamide is CC(=O)N1CC(n2cc(C(=O)NCC3CC3)nn2)C1.
What is the InChIKey of 1-(1-acetylazetidin-3-yl)-N-(cyclopropylmethyl)triazole-4-carboxamide?
The InChIKey is VERNEXFEGNWGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-8(18)16-5-10(6-16)17-7-11(14-15-17)12(19)13-4-9-2-3-9/h7,9-10H,2-6H2,1H3,(H,13,19).
What are the key properties of 1-(1-acetylazetidin-3-yl)-N-(cyclopropylmethyl)triazole-4-carboxamide?
1-(1-acetylazetidin-3-yl)-N-(cyclopropylmethyl)triazole-4-carboxamide has a molecular weight of 263.30 g/mol, XLogP of -0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylazetidin-3-yl)-N-(cyclopropylmethyl)triazole-4-carboxamide is sourced from PubChem (CID 91911451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).