3-[5-amino-6-(1,2,4-triazol-1-yl)pyrazin-2-yl]-N-[(1-hydroxycyclopentyl)methyl]-4-methylbenzenesulfonamide

C19H23N7O3S — CID 126569996

IUPAC3-[5-amino-6-(1,2,4-triazol-1-yl)pyrazin-2-yl]-N-[(1-hydroxycyclopentyl)methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC2(O)CCCC2)cc1-c1cnc(N)c(-n2cncn2)n1
InChIInChI=1S/C19H23N7O3S/c1-13-4-5-14(30(28,29)24-10-19(27)6-2-3-7-19)8-15(13)16-9-22-17(20)18(25-16)26-12-21-11-23-26/h4-5,8-9,11-12,24,27H,2-3,6-7,10H2,1H3,(H2,20,22)
InChIKeyGKICSEUCSBUZFN-UHFFFAOYSA-N
MW429.51 g/mol
LogP1.20
Rot. Bonds6

About 3-[5-amino-6-(1,2,4-triazol-1-yl)pyrazin-2-yl]-N-[(1-hydroxycyclopentyl)methyl]-4-methylbenzenesulfonamide

3-[5-amino-6-(1,2,4-triazol-1-yl)pyrazin-2-yl]-N-[(1-hydroxycyclopentyl)methyl]-4-methylbenzenesulfonamide (PubChem CID 126569996) has the molecular formula C19H23N7O3S and a molecular weight of 429.51 g/mol. Its IUPAC name is 3-[5-amino-6-(1,2,4-triazol-1-yl)pyrazin-2-yl]-N-[(1-hydroxycyclopentyl)methyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-[5-amino-6-(1,2,4-triazol-1-yl)pyrazin-2-yl]-N-[(1-hydroxycyclopentyl)methyl]-4-methylbenzenesulfonamide
PubChem CID126569996
Molecular FormulaC19H23N7O3S
Molecular Weight429.51 g/mol
Exact Mass429.16
IUPAC Name3-[5-amino-6-(1,2,4-triazol-1-yl)pyrazin-2-yl]-N-[(1-hydroxycyclopentyl)methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC2(O)CCCC2)cc1-c1cnc(N)c(-n2cncn2)n1
InChIInChI=1S/C19H23N7O3S/c1-13-4-5-14(30(28,29)24-10-19(27)6-2-3-7-19)8-15(13)16-9-22-17(20)18(25-16)26-12-21-11-23-26/h4-5,8-9,11-12,24,27H,2-3,6-7,10H2,1H3,(H2,20,22)
InChIKeyGKICSEUCSBUZFN-UHFFFAOYSA-N
XLogP1.20
TPSA148.91 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.51
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 3-[5-amino-6-(1,2,4-triazol-1-yl)pyrazin-2-yl]-N-[(1-hydroxycyclopentyl)methyl]-4-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[5-amino-6-(1,2,4-triazol-1-yl)pyrazin-2-yl]-N-[(1-hydroxycyclopentyl)methyl]-4-methylbenzenesulfonamide?
The IUPAC name of 3-[5-amino-6-(1,2,4-triazol-1-yl)pyrazin-2-yl]-N-[(1-hydroxycyclopentyl)methyl]-4-methylbenzenesulfonamide (CID 126569996) is 3-[5-amino-6-(1,2,4-triazol-1-yl)pyrazin-2-yl]-N-[(1-hydroxycyclopentyl)methyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-[5-amino-6-(1,2,4-triazol-1-yl)pyrazin-2-yl]-N-[(1-hydroxycyclopentyl)methyl]-4-methylbenzenesulfonamide?
The canonical SMILES for 3-[5-amino-6-(1,2,4-triazol-1-yl)pyrazin-2-yl]-N-[(1-hydroxycyclopentyl)methyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCC2(O)CCCC2)cc1-c1cnc(N)c(-n2cncn2)n1.
What is the InChIKey of 3-[5-amino-6-(1,2,4-triazol-1-yl)pyrazin-2-yl]-N-[(1-hydroxycyclopentyl)methyl]-4-methylbenzenesulfonamide?
The InChIKey is GKICSEUCSBUZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O3S/c1-13-4-5-14(30(28,29)24-10-19(27)6-2-3-7-19)8-15(13)16-9-22-17(20)18(25-16)26-12-21-11-23-26/h4-5,8-9,11-12,24,27H,2-3,6-7,10H2,1H3,(H2,20,22).
What are the key properties of 3-[5-amino-6-(1,2,4-triazol-1-yl)pyrazin-2-yl]-N-[(1-hydroxycyclopentyl)methyl]-4-methylbenzenesulfonamide?
3-[5-amino-6-(1,2,4-triazol-1-yl)pyrazin-2-yl]-N-[(1-hydroxycyclopentyl)methyl]-4-methylbenzenesulfonamide has a molecular weight of 429.51 g/mol, XLogP of 1.20, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-amino-6-(1,2,4-triazol-1-yl)pyrazin-2-yl]-N-[(1-hydroxycyclopentyl)methyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 126569996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).