N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide

C9H9N7O2S — CID 19080779

IUPACN-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
SMILESCn1cc(NS(=O)(=O)c2nc3ncccn3n2)cn1
InChIInChI=1S/C9H9N7O2S/c1-15-6-7(5-11-15)14-19(17,18)9-12-8-10-3-2-4-16(8)13-9/h2-6,14H,1H3
InChIKeyRSWNEQAVCHWDDZ-UHFFFAOYSA-N
MW279.29 g/mol
LogP-0.34
Rot. Bonds3

About N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide

N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide (PubChem CID 19080779) has the molecular formula C9H9N7O2S and a molecular weight of 279.29 g/mol. Its IUPAC name is N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
PubChem CID19080779
Molecular FormulaC9H9N7O2S
Molecular Weight279.29 g/mol
Exact Mass279.05
IUPAC NameN-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
SMILESCn1cc(NS(=O)(=O)c2nc3ncccn3n2)cn1
InChIInChI=1S/C9H9N7O2S/c1-15-6-7(5-11-15)14-19(17,18)9-12-8-10-3-2-4-16(8)13-9/h2-6,14H,1H3
InChIKeyRSWNEQAVCHWDDZ-UHFFFAOYSA-N
XLogP-0.34
TPSA107.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The IUPAC name of N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide (CID 19080779) is N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide.
What is the SMILES notation for N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The canonical SMILES for N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide is Cn1cc(NS(=O)(=O)c2nc3ncccn3n2)cn1.
What is the InChIKey of N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The InChIKey is RSWNEQAVCHWDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N7O2S/c1-15-6-7(5-11-15)14-19(17,18)9-12-8-10-3-2-4-16(8)13-9/h2-6,14H,1H3.
What are the key properties of N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide has a molecular weight of 279.29 g/mol, XLogP of -0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide is sourced from PubChem (CID 19080779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).