4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazine-1-sulfonamide

C9H16N6O3S — CID 61130895

IUPAC4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazine-1-sulfonamide
SMILESNS(=O)(=O)N1CCN(C(=O)CCn2cncn2)CC1
InChIInChI=1S/C9H16N6O3S/c10-19(17,18)15-5-3-13(4-6-15)9(16)1-2-14-8-11-7-12-14/h7-8H,1-6H2,(H2,10,17,18)
InChIKeyWRMHCQMUNFYCGY-UHFFFAOYSA-N
MW288.33 g/mol
LogP-1.98
Rot. Bonds4

About 4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazine-1-sulfonamide

4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazine-1-sulfonamide (PubChem CID 61130895) has the molecular formula C9H16N6O3S and a molecular weight of 288.33 g/mol. Its IUPAC name is 4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazine-1-sulfonamide
PubChem CID61130895
Molecular FormulaC9H16N6O3S
Molecular Weight288.33 g/mol
Exact Mass288.10
IUPAC Name4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazine-1-sulfonamide
SMILESNS(=O)(=O)N1CCN(C(=O)CCn2cncn2)CC1
InChIInChI=1S/C9H16N6O3S/c10-19(17,18)15-5-3-13(4-6-15)9(16)1-2-14-8-11-7-12-14/h7-8H,1-6H2,(H2,10,17,18)
InChIKeyWRMHCQMUNFYCGY-UHFFFAOYSA-N
XLogP-1.98
TPSA114.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 5-1.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazine-1-sulfonamide?
The IUPAC name of 4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazine-1-sulfonamide (CID 61130895) is 4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazine-1-sulfonamide.
What is the SMILES notation for 4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazine-1-sulfonamide?
The canonical SMILES for 4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazine-1-sulfonamide is NS(=O)(=O)N1CCN(C(=O)CCn2cncn2)CC1.
What is the InChIKey of 4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazine-1-sulfonamide?
The InChIKey is WRMHCQMUNFYCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N6O3S/c10-19(17,18)15-5-3-13(4-6-15)9(16)1-2-14-8-11-7-12-14/h7-8H,1-6H2,(H2,10,17,18).
What are the key properties of 4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazine-1-sulfonamide?
4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazine-1-sulfonamide has a molecular weight of 288.33 g/mol, XLogP of -1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazine-1-sulfonamide is sourced from PubChem (CID 61130895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).