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

C11H17N5O2S — CID 9378503

IUPACN-cyclopropyl-2-[methyl-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide
SMILESCN(CC(=O)NC1CC1)C(=O)CSc1nncn1C
InChIInChI=1S/C11H17N5O2S/c1-15(5-9(17)13-8-3-4-8)10(18)6-19-11-14-12-7-16(11)2/h7-8H,3-6H2,1-2H3,(H,13,17)
InChIKeyXBYPHFJTHAHQGS-UHFFFAOYSA-N
MW283.36 g/mol
LogP-0.36
Rot. Bonds6

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

N-cyclopropyl-2-[methyl-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide (PubChem CID 9378503) has the molecular formula C11H17N5O2S and a molecular weight of 283.36 g/mol. Its IUPAC name is N-cyclopropyl-2-[methyl-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[methyl-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide
PubChem CID9378503
Molecular FormulaC11H17N5O2S
Molecular Weight283.36 g/mol
Exact Mass283.11
IUPAC NameN-cyclopropyl-2-[methyl-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide
SMILESCN(CC(=O)NC1CC1)C(=O)CSc1nncn1C
InChIInChI=1S/C11H17N5O2S/c1-15(5-9(17)13-8-3-4-8)10(18)6-19-11-14-12-7-16(11)2/h7-8H,3-6H2,1-2H3,(H,13,17)
InChIKeyXBYPHFJTHAHQGS-UHFFFAOYSA-N
XLogP-0.36
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-cyclopropyl-2-[methyl-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]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-cyclopropyl-2-[methyl-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide?
The IUPAC name of N-cyclopropyl-2-[methyl-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide (CID 9378503) is N-cyclopropyl-2-[methyl-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[methyl-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[methyl-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide is CN(CC(=O)NC1CC1)C(=O)CSc1nncn1C.
What is the InChIKey of N-cyclopropyl-2-[methyl-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide?
The InChIKey is XBYPHFJTHAHQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2S/c1-15(5-9(17)13-8-3-4-8)10(18)6-19-11-14-12-7-16(11)2/h7-8H,3-6H2,1-2H3,(H,13,17).
What are the key properties of N-cyclopropyl-2-[methyl-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide?
N-cyclopropyl-2-[methyl-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide has a molecular weight of 283.36 g/mol, XLogP of -0.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[methyl-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide is sourced from PubChem (CID 9378503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).