N-(cyclopropylcarbamoyl)-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetamide

C10H10F3N5O3 — CID 62579791

IUPACN-(cyclopropylcarbamoyl)-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetamide
SMILESO=C(Cn1cc(C(=O)C(F)(F)F)nn1)NC(=O)NC1CC1
InChIInChI=1S/C10H10F3N5O3/c11-10(12,13)8(20)6-3-18(17-16-6)4-7(19)15-9(21)14-5-1-2-5/h3,5H,1-2,4H2,(H2,14,15,19,21)
InChIKeyDNOQPXGSMXJAMJ-UHFFFAOYSA-N
MW305.22 g/mol
LogP0.01
Rot. Bonds4

About N-(cyclopropylcarbamoyl)-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetamide

N-(cyclopropylcarbamoyl)-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetamide (PubChem CID 62579791) has the molecular formula C10H10F3N5O3 and a molecular weight of 305.22 g/mol. Its IUPAC name is N-(cyclopropylcarbamoyl)-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(cyclopropylcarbamoyl)-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetamide
PubChem CID62579791
Molecular FormulaC10H10F3N5O3
Molecular Weight305.22 g/mol
Exact Mass305.07
IUPAC NameN-(cyclopropylcarbamoyl)-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetamide
SMILESO=C(Cn1cc(C(=O)C(F)(F)F)nn1)NC(=O)NC1CC1
InChIInChI=1S/C10H10F3N5O3/c11-10(12,13)8(20)6-3-18(17-16-6)4-7(19)15-9(21)14-5-1-2-5/h3,5H,1-2,4H2,(H2,14,15,19,21)
InChIKeyDNOQPXGSMXJAMJ-UHFFFAOYSA-N
XLogP0.01
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(cyclopropylcarbamoyl)-2-[4-(2,2,2-trifluoroacetyl)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-(cyclopropylcarbamoyl)-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetamide?
The IUPAC name of N-(cyclopropylcarbamoyl)-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetamide (CID 62579791) is N-(cyclopropylcarbamoyl)-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetamide.
What is the SMILES notation for N-(cyclopropylcarbamoyl)-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetamide?
The canonical SMILES for N-(cyclopropylcarbamoyl)-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetamide is O=C(Cn1cc(C(=O)C(F)(F)F)nn1)NC(=O)NC1CC1.
What is the InChIKey of N-(cyclopropylcarbamoyl)-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetamide?
The InChIKey is DNOQPXGSMXJAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5O3/c11-10(12,13)8(20)6-3-18(17-16-6)4-7(19)15-9(21)14-5-1-2-5/h3,5H,1-2,4H2,(H2,14,15,19,21).
What are the key properties of N-(cyclopropylcarbamoyl)-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetamide?
N-(cyclopropylcarbamoyl)-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetamide has a molecular weight of 305.22 g/mol, XLogP of 0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylcarbamoyl)-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetamide is sourced from PubChem (CID 62579791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).