5-amino-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-pyrazole-4-sulfonamide

C8H13N7O2S — CID 64517232

IUPAC5-amino-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-pyrazole-4-sulfonamide
SMILESNc1[nH]ncc1S(=O)(=O)NCCCc1ncn[nH]1
InChIInChI=1S/C8H13N7O2S/c9-8-6(4-11-15-8)18(16,17)13-3-1-2-7-10-5-12-14-7/h4-5,13H,1-3H2,(H3,9,11,15)(H,10,12,14)
InChIKeyBBOPPKHIOCPEHV-UHFFFAOYSA-N
MW271.31 g/mol
LogP-0.98
Rot. Bonds6

About 5-amino-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-pyrazole-4-sulfonamide

5-amino-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-pyrazole-4-sulfonamide (PubChem CID 64517232) has the molecular formula C8H13N7O2S and a molecular weight of 271.31 g/mol. Its IUPAC name is 5-amino-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-pyrazole-4-sulfonamide
PubChem CID64517232
Molecular FormulaC8H13N7O2S
Molecular Weight271.31 g/mol
Exact Mass271.09
IUPAC Name5-amino-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-pyrazole-4-sulfonamide
SMILESNc1[nH]ncc1S(=O)(=O)NCCCc1ncn[nH]1
InChIInChI=1S/C8H13N7O2S/c9-8-6(4-11-15-8)18(16,17)13-3-1-2-7-10-5-12-14-7/h4-5,13H,1-3H2,(H3,9,11,15)(H,10,12,14)
InChIKeyBBOPPKHIOCPEHV-UHFFFAOYSA-N
XLogP-0.98
TPSA142.44 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 5-0.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-fluoro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzenesulfonamide
CID 64517233
2-amino-4-chloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzenesulfonamide
CID 64517997
2-amino-4-fluoro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzenesulfonamide
CID 64518565
3-amino-1-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrazole-4-sulfonamide
CID 64517993
4-hydrazinyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-3-sulfonamide
CID 64531197
2,5-dimethyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzenesulfonamide
CID 64531495
4-amino-2,6-dimethyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzenesulfonamide
CID 79570806
5-amino-N-(5-hydroxypentyl)-1H-pyrazole-4-sulfonamide
CID 107316396
2,4-dibromo-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzenesulfonamide
CID 64531882
2-methoxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzenesulfonamide
CID 64530073
2-amino-5-bromo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide
CID 64525350
4-[3-(1H-1,2,4-triazol-5-yl)propylsulfamoyl]benzenecarbothioamide
CID 64529596

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-pyrazole-4-sulfonamide (CID 64517232) is 5-amino-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-pyrazole-4-sulfonamide is Nc1[nH]ncc1S(=O)(=O)NCCCc1ncn[nH]1.
What is the InChIKey of 5-amino-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is BBOPPKHIOCPEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N7O2S/c9-8-6(4-11-15-8)18(16,17)13-3-1-2-7-10-5-12-14-7/h4-5,13H,1-3H2,(H3,9,11,15)(H,10,12,14).
What are the key properties of 5-amino-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-pyrazole-4-sulfonamide?
5-amino-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 271.31 g/mol, XLogP of -0.98, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 64517232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).