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

C7H10N6O2S — CID 102692323

IUPACN-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-5-sulfonamide
SMILESCn1cnnc1CNS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C7H10N6O2S/c1-13-5-9-11-6(13)4-10-16(14,15)7-2-3-8-12-7/h2-3,5,10H,4H2,1H3,(H,8,12)
InChIKeyPYONKCLTCPNAHF-UHFFFAOYSA-N
MW242.26 g/mol
LogP-0.98
Rot. Bonds4

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

N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-5-sulfonamide (PubChem CID 102692323) has the molecular formula C7H10N6O2S and a molecular weight of 242.26 g/mol. Its IUPAC name is N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-5-sulfonamide
PubChem CID102692323
Molecular FormulaC7H10N6O2S
Molecular Weight242.26 g/mol
Exact Mass242.06
IUPAC NameN-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-5-sulfonamide
SMILESCn1cnnc1CNS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C7H10N6O2S/c1-13-5-9-11-6(13)4-10-16(14,15)7-2-3-8-12-7/h2-3,5,10H,4H2,1H3,(H,8,12)
InChIKeyPYONKCLTCPNAHF-UHFFFAOYSA-N
XLogP-0.98
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-5-sulfonamide (CID 102692323) is N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-5-sulfonamide is Cn1cnnc1CNS(=O)(=O)c1ccn[nH]1.
What is the InChIKey of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-5-sulfonamide?
The InChIKey is PYONKCLTCPNAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6O2S/c1-13-5-9-11-6(13)4-10-16(14,15)7-2-3-8-12-7/h2-3,5,10H,4H2,1H3,(H,8,12).
What are the key properties of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-5-sulfonamide?
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-5-sulfonamide has a molecular weight of 242.26 g/mol, XLogP of -0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102692323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).