N-(4-methoxyphenyl)-7-methyl-N-[(4-propan-2-ylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C24H25N5O2 — CID 39911394

IUPACN-(4-methoxyphenyl)-7-methyl-N-[(4-propan-2-ylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOc1ccc(N(Cc2ccc(C(C)C)cc2)C(=O)c2nc3nccc(C)n3n2)cc1
InChIInChI=1S/C24H25N5O2/c1-16(2)19-7-5-18(6-8-19)15-28(20-9-11-21(31-4)12-10-20)23(30)22-26-24-25-14-13-17(3)29(24)27-22/h5-14,16H,15H2,1-4H3
InChIKeyXMELBYMIUFJWPV-UHFFFAOYSA-N
MW415.50 g/mol
LogP4.41
Rot. Bonds6

About N-(4-methoxyphenyl)-7-methyl-N-[(4-propan-2-ylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-(4-methoxyphenyl)-7-methyl-N-[(4-propan-2-ylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 39911394) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-7-methyl-N-[(4-propan-2-ylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-7-methyl-N-[(4-propan-2-ylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID39911394
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC NameN-(4-methoxyphenyl)-7-methyl-N-[(4-propan-2-ylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOc1ccc(N(Cc2ccc(C(C)C)cc2)C(=O)c2nc3nccc(C)n3n2)cc1
InChIInChI=1S/C24H25N5O2/c1-16(2)19-7-5-18(6-8-19)15-28(20-9-11-21(31-4)12-10-20)23(30)22-26-24-25-14-13-17(3)29(24)27-22/h5-14,16H,15H2,1-4H3
InChIKeyXMELBYMIUFJWPV-UHFFFAOYSA-N
XLogP4.41
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-7-methyl-N-[(4-propan-2-ylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-7-methyl-N-[(4-propan-2-ylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 39911394) is N-(4-methoxyphenyl)-7-methyl-N-[(4-propan-2-ylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-7-methyl-N-[(4-propan-2-ylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-7-methyl-N-[(4-propan-2-ylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is COc1ccc(N(Cc2ccc(C(C)C)cc2)C(=O)c2nc3nccc(C)n3n2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-7-methyl-N-[(4-propan-2-ylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is XMELBYMIUFJWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-16(2)19-7-5-18(6-8-19)15-28(20-9-11-21(31-4)12-10-20)23(30)22-26-24-25-14-13-17(3)29(24)27-22/h5-14,16H,15H2,1-4H3.
What are the key properties of N-(4-methoxyphenyl)-7-methyl-N-[(4-propan-2-ylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-(4-methoxyphenyl)-7-methyl-N-[(4-propan-2-ylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 415.50 g/mol, XLogP of 4.41, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-7-methyl-N-[(4-propan-2-ylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 39911394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).