N-(2-cyclopropyl-2-hydroxyethyl)-2-(triazol-1-yl)acetamide

C9H14N4O2 — CID 80700829

IUPACN-(2-cyclopropyl-2-hydroxyethyl)-2-(triazol-1-yl)acetamide
SMILESO=C(Cn1ccnn1)NCC(O)C1CC1
InChIInChI=1S/C9H14N4O2/c14-8(7-1-2-7)5-10-9(15)6-13-4-3-11-12-13/h3-4,7-8,14H,1-2,5-6H2,(H,10,15)
InChIKeyUSNITNOSNNSNAT-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.83
Rot. Bonds5

About N-(2-cyclopropyl-2-hydroxyethyl)-2-(triazol-1-yl)acetamide

N-(2-cyclopropyl-2-hydroxyethyl)-2-(triazol-1-yl)acetamide (PubChem CID 80700829) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxyethyl)-2-(triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxyethyl)-2-(triazol-1-yl)acetamide
PubChem CID80700829
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC NameN-(2-cyclopropyl-2-hydroxyethyl)-2-(triazol-1-yl)acetamide
SMILESO=C(Cn1ccnn1)NCC(O)C1CC1
InChIInChI=1S/C9H14N4O2/c14-8(7-1-2-7)5-10-9(15)6-13-4-3-11-12-13/h3-4,7-8,14H,1-2,5-6H2,(H,10,15)
InChIKeyUSNITNOSNNSNAT-UHFFFAOYSA-N
XLogP-0.83
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2-cyclopropyl-2-hydroxyethyl)-2-(triazol-1-yl)acetamide 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-(2-cyclopropyl-2-hydroxyethyl)-2-(triazol-1-yl)acetamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)-2-(triazol-1-yl)acetamide (CID 80700829) is N-(2-cyclopropyl-2-hydroxyethyl)-2-(triazol-1-yl)acetamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxyethyl)-2-(triazol-1-yl)acetamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxyethyl)-2-(triazol-1-yl)acetamide is O=C(Cn1ccnn1)NCC(O)C1CC1.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxyethyl)-2-(triazol-1-yl)acetamide?
The InChIKey is USNITNOSNNSNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c14-8(7-1-2-7)5-10-9(15)6-13-4-3-11-12-13/h3-4,7-8,14H,1-2,5-6H2,(H,10,15).
What are the key properties of N-(2-cyclopropyl-2-hydroxyethyl)-2-(triazol-1-yl)acetamide?
N-(2-cyclopropyl-2-hydroxyethyl)-2-(triazol-1-yl)acetamide has a molecular weight of 210.24 g/mol, XLogP of -0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxyethyl)-2-(triazol-1-yl)acetamide is sourced from PubChem (CID 80700829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).