5-cyclopentylsulfonyl-1H-1,2,4-triazol-3-amine

C7H12N4O2S — CID 71946049

IUPAC5-cyclopentylsulfonyl-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(S(=O)(=O)C2CCCC2)n1
InChIInChI=1S/C7H12N4O2S/c8-6-9-7(11-10-6)14(12,13)5-3-1-2-4-5/h5H,1-4H2,(H3,8,9,10,11)
InChIKeySCCVXTRYVQRGIT-UHFFFAOYSA-N
MW216.27 g/mol
LogP0.10
Rot. Bonds2

About 5-cyclopentylsulfonyl-1H-1,2,4-triazol-3-amine

5-cyclopentylsulfonyl-1H-1,2,4-triazol-3-amine (PubChem CID 71946049) has the molecular formula C7H12N4O2S and a molecular weight of 216.27 g/mol. Its IUPAC name is 5-cyclopentylsulfonyl-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-cyclopentylsulfonyl-1H-1,2,4-triazol-3-amine
PubChem CID71946049
Molecular FormulaC7H12N4O2S
Molecular Weight216.27 g/mol
Exact Mass216.07
IUPAC Name5-cyclopentylsulfonyl-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(S(=O)(=O)C2CCCC2)n1
InChIInChI=1S/C7H12N4O2S/c8-6-9-7(11-10-6)14(12,13)5-3-1-2-4-5/h5H,1-4H2,(H3,8,9,10,11)
InChIKeySCCVXTRYVQRGIT-UHFFFAOYSA-N
XLogP0.10
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.27
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentylsulfonyl-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-cyclopentylsulfonyl-1H-1,2,4-triazol-3-amine (CID 71946049) is 5-cyclopentylsulfonyl-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-cyclopentylsulfonyl-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-cyclopentylsulfonyl-1H-1,2,4-triazol-3-amine is Nc1n[nH]c(S(=O)(=O)C2CCCC2)n1.
What is the InChIKey of 5-cyclopentylsulfonyl-1H-1,2,4-triazol-3-amine?
The InChIKey is SCCVXTRYVQRGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2S/c8-6-9-7(11-10-6)14(12,13)5-3-1-2-4-5/h5H,1-4H2,(H3,8,9,10,11).
What are the key properties of 5-cyclopentylsulfonyl-1H-1,2,4-triazol-3-amine?
5-cyclopentylsulfonyl-1H-1,2,4-triazol-3-amine has a molecular weight of 216.27 g/mol, XLogP of 0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentylsulfonyl-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 71946049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).