1-[[[3-[5-amino-6-(1,2,4-triazol-1-yl)pyrazin-2-yl]-4-methylphenyl]sulfonylamino]methyl]cyclopropane-1-carboxamide

C18H20N8O3S — CID 126570051

IUPAC1-[[[3-[5-amino-6-(1,2,4-triazol-1-yl)pyrazin-2-yl]-4-methylphenyl]sulfonylamino]methyl]cyclopropane-1-carboxamide
SMILESCc1ccc(S(=O)(=O)NCC2(C(N)=O)CC2)cc1-c1cnc(N)c(-n2cncn2)n1
InChIInChI=1S/C18H20N8O3S/c1-11-2-3-12(30(28,29)24-8-18(4-5-18)17(20)27)6-13(11)14-7-22-15(19)16(25-14)26-10-21-9-23-26/h2-3,6-7,9-10,24H,4-5,8H2,1H3,(H2,19,22)(H2,20,27)
InChIKeyWUXITOBVWLMCGR-UHFFFAOYSA-N
MW428.48 g/mol
LogP0.16
Rot. Bonds7

About 1-[[[3-[5-amino-6-(1,2,4-triazol-1-yl)pyrazin-2-yl]-4-methylphenyl]sulfonylamino]methyl]cyclopropane-1-carboxamide

1-[[[3-[5-amino-6-(1,2,4-triazol-1-yl)pyrazin-2-yl]-4-methylphenyl]sulfonylamino]methyl]cyclopropane-1-carboxamide (PubChem CID 126570051) has the molecular formula C18H20N8O3S and a molecular weight of 428.48 g/mol. Its IUPAC name is 1-[[[3-[5-amino-6-(1,2,4-triazol-1-yl)pyrazin-2-yl]-4-methylphenyl]sulfonylamino]methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[[[3-[5-amino-6-(1,2,4-triazol-1-yl)pyrazin-2-yl]-4-methylphenyl]sulfonylamino]methyl]cyclopropane-1-carboxamide
PubChem CID126570051
Molecular FormulaC18H20N8O3S
Molecular Weight428.48 g/mol
Exact Mass428.14
IUPAC Name1-[[[3-[5-amino-6-(1,2,4-triazol-1-yl)pyrazin-2-yl]-4-methylphenyl]sulfonylamino]methyl]cyclopropane-1-carboxamide
SMILESCc1ccc(S(=O)(=O)NCC2(C(N)=O)CC2)cc1-c1cnc(N)c(-n2cncn2)n1
InChIInChI=1S/C18H20N8O3S/c1-11-2-3-12(30(28,29)24-8-18(4-5-18)17(20)27)6-13(11)14-7-22-15(19)16(25-14)26-10-21-9-23-26/h2-3,6-7,9-10,24H,4-5,8H2,1H3,(H2,19,22)(H2,20,27)
InChIKeyWUXITOBVWLMCGR-UHFFFAOYSA-N
XLogP0.16
TPSA171.77 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.48
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

3-[5-amino-6-(1,2,4-triazol-1-yl)pyrazin-2-yl]-N-[(1-hydroxycyclopentyl)methyl]-4-methylbenzenesulfonamide
CID 126569996
3-[5-amino-6-(1,2,4-triazol-1-yl)pyrazin-2-yl]-N-cyclobutyl-4-methylbenzenesulfonamide
CID 126570016
3-[5-amino-6-(1,2,4-triazol-1-yl)pyrazin-2-yl]-N-(2-azabicyclo[2.1.1]hexan-4-yl)-4-methylbenzenesulfonamide
CID 164607355
3-[5-amino-6-(1,2,4-triazol-1-yl)pyrazin-2-yl]-4-methyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 126570064
[3-[[3-[5-amino-6-(1,2,4-triazol-1-yl)pyrazin-2-yl]-4-methylphenyl]sulfonylamino]-1-bicyclo[1.1.1]pentanyl]methyl N-methylcarbamate
CID 142611466
3-[5-amino-6-(1,2,4-triazol-1-yl)pyrazin-2-yl]-4-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]benzenesulfonamide;sulfane
CID 157460188
5-[5-(3,3-difluoropiperidin-1-yl)sulfonyl-2-methylphenyl]-3-(1,2,4-triazol-1-yl)pyrazin-2-amine
CID 126570050
N-[3-[[3-[5-amino-6-(1,2,4-triazol-1-yl)pyrazin-2-yl]-4-methylphenyl]sulfonylamino]-1-bicyclo[1.1.1]pentanyl]acetamide;2,2,2-trifluoroacetic acid
CID 155210391
2-[3-[[3-[5-amino-6-(1,2,4-triazol-1-yl)pyrazin-2-yl]-4-methylphenyl]sulfonylamino]-1-bicyclo[1.1.1]pentanyl]propan-2-yl 2,2,2-trifluoroacetate
CID 155210381
3-(5-amino-6-pyrazol-1-ylpyrazin-2-yl)-N-(3-hydroxy-3-methylbutyl)-4-methylbenzenesulfonamide
CID 118470797
3-[5-amino-6-(4-methylimidazol-1-yl)pyrazin-2-yl]-N-(3-hydroxypropyl)-4-methylbenzenesulfonamide
CID 118470885
3-[5-amino-6-(1,2,4-triazol-1-yl)pyrazin-2-yl]-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
CID 118470503

Frequently Asked Questions

What is the IUPAC name of 1-[[[3-[5-amino-6-(1,2,4-triazol-1-yl)pyrazin-2-yl]-4-methylphenyl]sulfonylamino]methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-[[[3-[5-amino-6-(1,2,4-triazol-1-yl)pyrazin-2-yl]-4-methylphenyl]sulfonylamino]methyl]cyclopropane-1-carboxamide (CID 126570051) is 1-[[[3-[5-amino-6-(1,2,4-triazol-1-yl)pyrazin-2-yl]-4-methylphenyl]sulfonylamino]methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[[[3-[5-amino-6-(1,2,4-triazol-1-yl)pyrazin-2-yl]-4-methylphenyl]sulfonylamino]methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-[[[3-[5-amino-6-(1,2,4-triazol-1-yl)pyrazin-2-yl]-4-methylphenyl]sulfonylamino]methyl]cyclopropane-1-carboxamide is Cc1ccc(S(=O)(=O)NCC2(C(N)=O)CC2)cc1-c1cnc(N)c(-n2cncn2)n1.
What is the InChIKey of 1-[[[3-[5-amino-6-(1,2,4-triazol-1-yl)pyrazin-2-yl]-4-methylphenyl]sulfonylamino]methyl]cyclopropane-1-carboxamide?
The InChIKey is WUXITOBVWLMCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N8O3S/c1-11-2-3-12(30(28,29)24-8-18(4-5-18)17(20)27)6-13(11)14-7-22-15(19)16(25-14)26-10-21-9-23-26/h2-3,6-7,9-10,24H,4-5,8H2,1H3,(H2,19,22)(H2,20,27).
What are the key properties of 1-[[[3-[5-amino-6-(1,2,4-triazol-1-yl)pyrazin-2-yl]-4-methylphenyl]sulfonylamino]methyl]cyclopropane-1-carboxamide?
1-[[[3-[5-amino-6-(1,2,4-triazol-1-yl)pyrazin-2-yl]-4-methylphenyl]sulfonylamino]methyl]cyclopropane-1-carboxamide has a molecular weight of 428.48 g/mol, XLogP of 0.16, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[3-[5-amino-6-(1,2,4-triazol-1-yl)pyrazin-2-yl]-4-methylphenyl]sulfonylamino]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 126570051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).