7-(2-chlorophenyl)-2-(4-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C20H18ClN5O2 — CID 135515066

IUPAC7-(2-chlorophenyl)-2-(4-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1ccc(-c2nc3n(n2)C(c2ccccc2Cl)C(C(N)=O)=C(C)N3)cc1
InChIInChI=1S/C20H18ClN5O2/c1-11-16(18(22)27)17(14-5-3-4-6-15(14)21)26-20(23-11)24-19(25-26)12-7-9-13(28-2)10-8-12/h3-10,17H,1-2H3,(H2,22,27)(H,23,24,25)
InChIKeyCEFGOFCBSLMWOZ-UHFFFAOYSA-N
MW395.85 g/mol
LogP3.38
Rot. Bonds4

About 7-(2-chlorophenyl)-2-(4-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

7-(2-chlorophenyl)-2-(4-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 135515066) has the molecular formula C20H18ClN5O2 and a molecular weight of 395.85 g/mol. Its IUPAC name is 7-(2-chlorophenyl)-2-(4-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-(2-chlorophenyl)-2-(4-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID135515066
Molecular FormulaC20H18ClN5O2
Molecular Weight395.85 g/mol
Exact Mass395.11
IUPAC Name7-(2-chlorophenyl)-2-(4-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1ccc(-c2nc3n(n2)C(c2ccccc2Cl)C(C(N)=O)=C(C)N3)cc1
InChIInChI=1S/C20H18ClN5O2/c1-11-16(18(22)27)17(14-5-3-4-6-15(14)21)26-20(23-11)24-19(25-26)12-7-9-13(28-2)10-8-12/h3-10,17H,1-2H3,(H2,22,27)(H,23,24,25)
InChIKeyCEFGOFCBSLMWOZ-UHFFFAOYSA-N
XLogP3.38
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.85
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(2-chlorophenyl)-2-(4-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-(2-chlorophenyl)-2-(4-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 135515066) is 7-(2-chlorophenyl)-2-(4-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-(2-chlorophenyl)-2-(4-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-(2-chlorophenyl)-2-(4-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is COc1ccc(-c2nc3n(n2)C(c2ccccc2Cl)C(C(N)=O)=C(C)N3)cc1.
What is the InChIKey of 7-(2-chlorophenyl)-2-(4-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is CEFGOFCBSLMWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN5O2/c1-11-16(18(22)27)17(14-5-3-4-6-15(14)21)26-20(23-11)24-19(25-26)12-7-9-13(28-2)10-8-12/h3-10,17H,1-2H3,(H2,22,27)(H,23,24,25).
What are the key properties of 7-(2-chlorophenyl)-2-(4-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
7-(2-chlorophenyl)-2-(4-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 395.85 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-chlorophenyl)-2-(4-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135515066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).