N-cyclopentyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide

C9H14N4OS — CID 8706801

IUPACN-cyclopentyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESO=C(CSc1ncn[nH]1)NC1CCCC1
InChIInChI=1S/C9H14N4OS/c14-8(12-7-3-1-2-4-7)5-15-9-10-6-11-13-9/h6-7H,1-5H2,(H,12,14)(H,10,11,13)
InChIKeyULWZQPJKAQNAKP-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.96
Rot. Bonds4

About N-cyclopentyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide

N-cyclopentyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (PubChem CID 8706801) has the molecular formula C9H14N4OS and a molecular weight of 226.30 g/mol. Its IUPAC name is N-cyclopentyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
PubChem CID8706801
Molecular FormulaC9H14N4OS
Molecular Weight226.30 g/mol
Exact Mass226.09
IUPAC NameN-cyclopentyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESO=C(CSc1ncn[nH]1)NC1CCCC1
InChIInChI=1S/C9H14N4OS/c14-8(12-7-3-1-2-4-7)5-15-9-10-6-11-13-9/h6-7H,1-5H2,(H,12,14)(H,10,11,13)
InChIKeyULWZQPJKAQNAKP-UHFFFAOYSA-N
XLogP0.96
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The IUPAC name of N-cyclopentyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (CID 8706801) is N-cyclopentyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.
What is the SMILES notation for N-cyclopentyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The canonical SMILES for N-cyclopentyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is O=C(CSc1ncn[nH]1)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The InChIKey is ULWZQPJKAQNAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4OS/c14-8(12-7-3-1-2-4-7)5-15-9-10-6-11-13-9/h6-7H,1-5H2,(H,12,14)(H,10,11,13).
What are the key properties of N-cyclopentyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
N-cyclopentyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide has a molecular weight of 226.30 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is sourced from PubChem (CID 8706801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).