2-(3-amino-1,2,4-triazol-1-yl)-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]acetamide

C14H17N5O2 — CID 61114765

IUPAC2-(3-amino-1,2,4-triazol-1-yl)-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]acetamide
SMILESNc1ncn(CC(=O)N(Cc2cccc(O)c2)C2CC2)n1
InChIInChI=1S/C14H17N5O2/c15-14-16-9-18(17-14)8-13(21)19(11-4-5-11)7-10-2-1-3-12(20)6-10/h1-3,6,9,11,20H,4-5,7-8H2,(H2,15,17)
InChIKeyXKUFZLQCNRJTCH-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.76
Rot. Bonds5

About 2-(3-amino-1,2,4-triazol-1-yl)-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]acetamide

2-(3-amino-1,2,4-triazol-1-yl)-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]acetamide (PubChem CID 61114765) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-(3-amino-1,2,4-triazol-1-yl)-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-amino-1,2,4-triazol-1-yl)-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]acetamide
PubChem CID61114765
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name2-(3-amino-1,2,4-triazol-1-yl)-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]acetamide
SMILESNc1ncn(CC(=O)N(Cc2cccc(O)c2)C2CC2)n1
InChIInChI=1S/C14H17N5O2/c15-14-16-9-18(17-14)8-13(21)19(11-4-5-11)7-10-2-1-3-12(20)6-10/h1-3,6,9,11,20H,4-5,7-8H2,(H2,15,17)
InChIKeyXKUFZLQCNRJTCH-UHFFFAOYSA-N
XLogP0.76
TPSA97.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(3-amino-1,2,4-triazol-1-yl)-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]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 2-(3-amino-1,2,4-triazol-1-yl)-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]acetamide?
The IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]acetamide (CID 61114765) is 2-(3-amino-1,2,4-triazol-1-yl)-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(3-amino-1,2,4-triazol-1-yl)-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(3-amino-1,2,4-triazol-1-yl)-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]acetamide is Nc1ncn(CC(=O)N(Cc2cccc(O)c2)C2CC2)n1.
What is the InChIKey of 2-(3-amino-1,2,4-triazol-1-yl)-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]acetamide?
The InChIKey is XKUFZLQCNRJTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c15-14-16-9-18(17-14)8-13(21)19(11-4-5-11)7-10-2-1-3-12(20)6-10/h1-3,6,9,11,20H,4-5,7-8H2,(H2,15,17).
What are the key properties of 2-(3-amino-1,2,4-triazol-1-yl)-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]acetamide?
2-(3-amino-1,2,4-triazol-1-yl)-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]acetamide has a molecular weight of 287.32 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1,2,4-triazol-1-yl)-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]acetamide is sourced from PubChem (CID 61114765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).