N-(1-methyltriazol-4-yl)quinazoline-6-sulfonamide

C11H10N6O2S — CID 176943914

IUPACN-(1-methyltriazol-4-yl)quinazoline-6-sulfonamide
SMILESCn1cc(NS(=O)(=O)c2ccc3ncncc3c2)nn1
InChIInChI=1S/C11H10N6O2S/c1-17-6-11(14-16-17)15-20(18,19)9-2-3-10-8(4-9)5-12-7-13-10/h2-7,15H,1H3
InChIKeyPTZIQQCIJVYBOR-UHFFFAOYSA-N
MW290.31 g/mol
LogP0.56
Rot. Bonds3

About N-(1-methyltriazol-4-yl)quinazoline-6-sulfonamide

N-(1-methyltriazol-4-yl)quinazoline-6-sulfonamide (PubChem CID 176943914) has the molecular formula C11H10N6O2S and a molecular weight of 290.31 g/mol. Its IUPAC name is N-(1-methyltriazol-4-yl)quinazoline-6-sulfonamide.

Molecular Properties

Compound NameN-(1-methyltriazol-4-yl)quinazoline-6-sulfonamide
PubChem CID176943914
Molecular FormulaC11H10N6O2S
Molecular Weight290.31 g/mol
Exact Mass290.06
IUPAC NameN-(1-methyltriazol-4-yl)quinazoline-6-sulfonamide
SMILESCn1cc(NS(=O)(=O)c2ccc3ncncc3c2)nn1
InChIInChI=1S/C11H10N6O2S/c1-17-6-11(14-16-17)15-20(18,19)9-2-3-10-8(4-9)5-12-7-13-10/h2-7,15H,1H3
InChIKeyPTZIQQCIJVYBOR-UHFFFAOYSA-N
XLogP0.56
TPSA102.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-methylpiperazin-1-yl)quinazoline-6-sulfonamide
CID 176943928
N-(1-methylcyclopropyl)quinazoline-6-sulfonamide
CID 176943922
N-[1-(2-methoxyethyl)pyrazol-4-yl]quinoline-6-sulfonamide
CID 154838624
3-[(1-methyltriazol-4-yl)sulfamoyl]-4-propan-2-ylbenzoic acid
CID 166214922
trimethyl(quinazolin-6-yl)stannane
CID 90333131
N-(3,5-difluorophenyl)-6-[(1-methyltriazol-4-yl)methylamino]pyridine-3-sulfonamide
CID 166208303
3-N,6-N-ditert-butylquinoline-3,6-disulfonamide
CID 139226948
N-[2-[(4-pyridin-3-ylphenyl)methylamino]ethyl]quinazoline-6-sulfonamide
CID 171637683
3,4-dimethoxy-N-quinolin-3-ylbenzenesulfonamide
CID 795443
N-(4-chloro-2-pyridinyl)-1-methylpyrazole-4-sulfonamide
CID 71972209
N-[2-methyl-3-(quinazolin-6-ylamino)phenyl]propane-1-sulfonamide
CID 123857819
quinazoline;sulfuric acid
CID 68666384

Frequently Asked Questions

What is the IUPAC name of N-(1-methyltriazol-4-yl)quinazoline-6-sulfonamide?
The IUPAC name of N-(1-methyltriazol-4-yl)quinazoline-6-sulfonamide (CID 176943914) is N-(1-methyltriazol-4-yl)quinazoline-6-sulfonamide.
What is the SMILES notation for N-(1-methyltriazol-4-yl)quinazoline-6-sulfonamide?
The canonical SMILES for N-(1-methyltriazol-4-yl)quinazoline-6-sulfonamide is Cn1cc(NS(=O)(=O)c2ccc3ncncc3c2)nn1.
What is the InChIKey of N-(1-methyltriazol-4-yl)quinazoline-6-sulfonamide?
The InChIKey is PTZIQQCIJVYBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6O2S/c1-17-6-11(14-16-17)15-20(18,19)9-2-3-10-8(4-9)5-12-7-13-10/h2-7,15H,1H3.
What are the key properties of N-(1-methyltriazol-4-yl)quinazoline-6-sulfonamide?
N-(1-methyltriazol-4-yl)quinazoline-6-sulfonamide has a molecular weight of 290.31 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyltriazol-4-yl)quinazoline-6-sulfonamide is sourced from PubChem (CID 176943914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).