N-(1,3-benzodioxol-5-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C15H13N5O3 — CID 2088501

IUPACN-(1,3-benzodioxol-5-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)Nc3ccc4c(c3)OCO4)nc2n1
InChIInChI=1S/C15H13N5O3/c1-8-5-9(2)20-15(16-8)18-13(19-20)14(21)17-10-3-4-11-12(6-10)23-7-22-11/h3-6H,7H2,1-2H3,(H,17,21)
InChIKeySYUZODGKJTZKHP-UHFFFAOYSA-N
MW311.30 g/mol
LogP1.72
Rot. Bonds2

About N-(1,3-benzodioxol-5-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-(1,3-benzodioxol-5-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 2088501) has the molecular formula C15H13N5O3 and a molecular weight of 311.30 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID2088501
Molecular FormulaC15H13N5O3
Molecular Weight311.30 g/mol
Exact Mass311.10
IUPAC NameN-(1,3-benzodioxol-5-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)Nc3ccc4c(c3)OCO4)nc2n1
InChIInChI=1S/C15H13N5O3/c1-8-5-9(2)20-15(16-8)18-13(19-20)14(21)17-10-3-4-11-12(6-10)23-7-22-11/h3-6H,7H2,1-2H3,(H,17,21)
InChIKeySYUZODGKJTZKHP-UHFFFAOYSA-N
XLogP1.72
TPSA90.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 51.72
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
N-1,3-benzodioxol-5-yl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2982379
N-(1,3-Benzodioxol-5-yl)-5-isopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 653043
N-1,3-benzodioxol-5-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1251504
N-1,3-benzodioxol-5-yl-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1256595
N-(1,3-benzodioxol-5-yl)-6-bromo-2-pyrazolo[1,5-a]pyrimidinecarboxamide
CID 1258402
N-(1,3-benzodioxol-5-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2438361
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2458272
N-1,3-benzodioxol-5-yltetrazolo[1,5-a]quinoxalin-4-amine
CID 3239576
2,5-dimethyl-N-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 5307761
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 5308994
3-(1,3-Benzodioxol-5-yldiazenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-ylamine
CID 7313813

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 2088501) is N-(1,3-benzodioxol-5-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(C)n2nc(C(=O)Nc3ccc4c(c3)OCO4)nc2n1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is SYUZODGKJTZKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O3/c1-8-5-9(2)20-15(16-8)18-13(19-20)14(21)17-10-3-4-11-12(6-10)23-7-22-11/h3-6H,7H2,1-2H3,(H,17,21).
What are the key properties of N-(1,3-benzodioxol-5-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-(1,3-benzodioxol-5-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 311.30 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 2088501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).