2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclopentylcarbamoyl)acetamide

C11H18N6O2S — CID 2603835

IUPAC2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclopentylcarbamoyl)acetamide
SMILESCc1nnc(SCC(=O)NC(=O)NC2CCCC2)n1N
InChIInChI=1S/C11H18N6O2S/c1-7-15-16-11(17(7)12)20-6-9(18)14-10(19)13-8-4-2-3-5-8/h8H,2-6,12H2,1H3,(H2,13,14,18,19)
InChIKeyPQNSSXXXMPLVLA-UHFFFAOYSA-N
MW298.37 g/mol
LogP0.16
Rot. Bonds4

About 2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclopentylcarbamoyl)acetamide

2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclopentylcarbamoyl)acetamide (PubChem CID 2603835) has the molecular formula C11H18N6O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclopentylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclopentylcarbamoyl)acetamide
PubChem CID2603835
Molecular FormulaC11H18N6O2S
Molecular Weight298.37 g/mol
Exact Mass298.12
IUPAC Name2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclopentylcarbamoyl)acetamide
SMILESCc1nnc(SCC(=O)NC(=O)NC2CCCC2)n1N
InChIInChI=1S/C11H18N6O2S/c1-7-15-16-11(17(7)12)20-6-9(18)14-10(19)13-8-4-2-3-5-8/h8H,2-6,12H2,1H3,(H2,13,14,18,19)
InChIKeyPQNSSXXXMPLVLA-UHFFFAOYSA-N
XLogP0.16
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclopentylcarbamoyl)acetamide?
The IUPAC name of 2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclopentylcarbamoyl)acetamide (CID 2603835) is 2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclopentylcarbamoyl)acetamide.
What is the SMILES notation for 2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclopentylcarbamoyl)acetamide?
The canonical SMILES for 2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclopentylcarbamoyl)acetamide is Cc1nnc(SCC(=O)NC(=O)NC2CCCC2)n1N.
What is the InChIKey of 2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclopentylcarbamoyl)acetamide?
The InChIKey is PQNSSXXXMPLVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O2S/c1-7-15-16-11(17(7)12)20-6-9(18)14-10(19)13-8-4-2-3-5-8/h8H,2-6,12H2,1H3,(H2,13,14,18,19).
What are the key properties of 2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclopentylcarbamoyl)acetamide?
2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclopentylcarbamoyl)acetamide has a molecular weight of 298.37 g/mol, XLogP of 0.16, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclopentylcarbamoyl)acetamide is sourced from PubChem (CID 2603835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).