(7S)-N-(3,4-dimethylphenyl)-2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide

C15H17N5O2 — CID 135714329

IUPAC(7S)-N-(3,4-dimethylphenyl)-2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCc1nc2n(n1)[C@H](C(=O)Nc1ccc(C)c(C)c1)CC(=O)N2
InChIInChI=1S/C15H17N5O2/c1-8-4-5-11(6-9(8)2)17-14(22)12-7-13(21)18-15-16-10(3)19-20(12)15/h4-6,12H,7H2,1-3H3,(H,17,22)(H,16,18,19,21)/t12-/m0/s1
InChIKeyUUJGVNFMHDYOPB-LBPRGKRZSA-N
MW299.33 g/mol
LogP1.73
Rot. Bonds2

About (7S)-N-(3,4-dimethylphenyl)-2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide

(7S)-N-(3,4-dimethylphenyl)-2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 135714329) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is (7S)-N-(3,4-dimethylphenyl)-2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name(7S)-N-(3,4-dimethylphenyl)-2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
PubChem CID135714329
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC Name(7S)-N-(3,4-dimethylphenyl)-2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCc1nc2n(n1)[C@H](C(=O)Nc1ccc(C)c(C)c1)CC(=O)N2
InChIInChI=1S/C15H17N5O2/c1-8-4-5-11(6-9(8)2)17-14(22)12-7-13(21)18-15-16-10(3)19-20(12)15/h4-6,12H,7H2,1-3H3,(H,17,22)(H,16,18,19,21)/t12-/m0/s1
InChIKeyUUJGVNFMHDYOPB-LBPRGKRZSA-N
XLogP1.73
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7S)-N-(3,4-dimethylphenyl)-2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?
The IUPAC name of (7S)-N-(3,4-dimethylphenyl)-2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide (CID 135714329) is (7S)-N-(3,4-dimethylphenyl)-2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide.
What is the SMILES notation for (7S)-N-(3,4-dimethylphenyl)-2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?
The canonical SMILES for (7S)-N-(3,4-dimethylphenyl)-2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide is Cc1nc2n(n1)[C@H](C(=O)Nc1ccc(C)c(C)c1)CC(=O)N2.
What is the InChIKey of (7S)-N-(3,4-dimethylphenyl)-2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?
The InChIKey is UUJGVNFMHDYOPB-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H17N5O2/c1-8-4-5-11(6-9(8)2)17-14(22)12-7-13(21)18-15-16-10(3)19-20(12)15/h4-6,12H,7H2,1-3H3,(H,17,22)(H,16,18,19,21)/t12-/m0/s1.
What are the key properties of (7S)-N-(3,4-dimethylphenyl)-2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?
(7S)-N-(3,4-dimethylphenyl)-2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 299.33 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-N-(3,4-dimethylphenyl)-2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 135714329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).