N-(3-methoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide

C14H15N5O3S — CID 714973

IUPACN-(3-methoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
SMILESCOc1cccc(NS(=O)(=O)c2nc3nc(C)cc(C)n3n2)c1
InChIInChI=1S/C14H15N5O3S/c1-9-7-10(2)19-13(15-9)16-14(17-19)23(20,21)18-11-5-4-6-12(8-11)22-3/h4-8,18H,1-3H3
InChIKeyNFALFDSCPMJBQY-UHFFFAOYSA-N
MW333.37 g/mol
LogP1.55
Rot. Bonds4

About N-(3-methoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide

N-(3-methoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide (PubChem CID 714973) has the molecular formula C14H15N5O3S and a molecular weight of 333.37 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
PubChem CID714973
Molecular FormulaC14H15N5O3S
Molecular Weight333.37 g/mol
Exact Mass333.09
IUPAC NameN-(3-methoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
SMILESCOc1cccc(NS(=O)(=O)c2nc3nc(C)cc(C)n3n2)c1
InChIInChI=1S/C14H15N5O3S/c1-9-7-10(2)19-13(15-9)16-14(17-19)23(20,21)18-11-5-4-6-12(8-11)22-3/h4-8,18H,1-3H3
InChIKeyNFALFDSCPMJBQY-UHFFFAOYSA-N
XLogP1.55
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

7-(difluoromethyl)-N-(3-methoxyphenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 1093987
2-[(5-amino-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio]-N-(3-methoxyphenyl)acetamide
CID 1434102
N-(2,5-dimethoxyphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 5308295
N-(3-ethoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 43816783
(3-Methoxy-phenyl)-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-amine
CID 650229
N-(3-methoxyphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 5308802
2-ethyl-N-(4-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 15990003
N-(2,5-Dimethoxyphenyl)-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
CID 632453
N~1~-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-methoxy-1-benzenesulfonamide
CID 16012581
N-(3-Methoxyphenyl)-5-methylpyrazolo[1,5-A]pyrimidin-7-amine
CID 53015231
5-methoxy-N-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
CID 76319138
2-({5,7-Dimethyl-[1,2,4]triazolo[1,5-A]pyrimidin-2-YL}sulfanyl)-N-(3-methoxyphenyl)acetamide
CID 757609

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The IUPAC name of N-(3-methoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide (CID 714973) is N-(3-methoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide.
What is the SMILES notation for N-(3-methoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The canonical SMILES for N-(3-methoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide is COc1cccc(NS(=O)(=O)c2nc3nc(C)cc(C)n3n2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The InChIKey is NFALFDSCPMJBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O3S/c1-9-7-10(2)19-13(15-9)16-14(17-19)23(20,21)18-11-5-4-6-12(8-11)22-3/h4-8,18H,1-3H3.
What are the key properties of N-(3-methoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
N-(3-methoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide has a molecular weight of 333.37 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide is sourced from PubChem (CID 714973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).