N-(2,4-dimethylphenyl)-7-(1,3-dimethylpyrazol-4-yl)-5-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C20H25N7O — CID 135636321

IUPACN-(2,4-dimethylphenyl)-7-(1,3-dimethylpyrazol-4-yl)-5-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1ccc(NC(=O)C2C(C)Nc3ncnn3C2c2cn(C)nc2C)c(C)c1
InChIInChI=1S/C20H25N7O/c1-11-6-7-16(12(2)8-11)24-19(28)17-14(4)23-20-21-10-22-27(20)18(17)15-9-26(5)25-13(15)3/h6-10,14,17-18H,1-5H3,(H,24,28)(H,21,22,23)
InChIKeyYPLKRHLKVXCGEZ-UHFFFAOYSA-N
MW379.47 g/mol
LogP2.60
Rot. Bonds3

About N-(2,4-dimethylphenyl)-7-(1,3-dimethylpyrazol-4-yl)-5-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

N-(2,4-dimethylphenyl)-7-(1,3-dimethylpyrazol-4-yl)-5-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 135636321) has the molecular formula C20H25N7O and a molecular weight of 379.47 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-7-(1,3-dimethylpyrazol-4-yl)-5-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-7-(1,3-dimethylpyrazol-4-yl)-5-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID135636321
Molecular FormulaC20H25N7O
Molecular Weight379.47 g/mol
Exact Mass379.21
IUPAC NameN-(2,4-dimethylphenyl)-7-(1,3-dimethylpyrazol-4-yl)-5-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1ccc(NC(=O)C2C(C)Nc3ncnn3C2c2cn(C)nc2C)c(C)c1
InChIInChI=1S/C20H25N7O/c1-11-6-7-16(12(2)8-11)24-19(28)17-14(4)23-20-21-10-22-27(20)18(17)15-9-26(5)25-13(15)3/h6-10,14,17-18H,1-5H3,(H,24,28)(H,21,22,23)
InChIKeyYPLKRHLKVXCGEZ-UHFFFAOYSA-N
XLogP2.60
TPSA89.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.47
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(2,4-dimethylphenyl)-7-(1,3-dimethylpyrazol-4-yl)-5-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-7-(1,3-dimethylpyrazol-4-yl)-5-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-7-(1,3-dimethylpyrazol-4-yl)-5-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 135636321) is N-(2,4-dimethylphenyl)-7-(1,3-dimethylpyrazol-4-yl)-5-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-7-(1,3-dimethylpyrazol-4-yl)-5-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-7-(1,3-dimethylpyrazol-4-yl)-5-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is Cc1ccc(NC(=O)C2C(C)Nc3ncnn3C2c2cn(C)nc2C)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-7-(1,3-dimethylpyrazol-4-yl)-5-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is YPLKRHLKVXCGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O/c1-11-6-7-16(12(2)8-11)24-19(28)17-14(4)23-20-21-10-22-27(20)18(17)15-9-26(5)25-13(15)3/h6-10,14,17-18H,1-5H3,(H,24,28)(H,21,22,23).
What are the key properties of N-(2,4-dimethylphenyl)-7-(1,3-dimethylpyrazol-4-yl)-5-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
N-(2,4-dimethylphenyl)-7-(1,3-dimethylpyrazol-4-yl)-5-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 379.47 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-7-(1,3-dimethylpyrazol-4-yl)-5-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135636321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).