6-(aminomethyl)-7-(2,4-dichlorophenyl)-5-methyl-N-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C20H16Cl2N6O — CID 11510166

IUPAC6-(aminomethyl)-7-(2,4-dichlorophenyl)-5-methyl-N-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1nc2nc(C(=O)Nc3ccccc3)nn2c(-c2ccc(Cl)cc2Cl)c1CN
InChIInChI=1S/C20H16Cl2N6O/c1-11-15(10-23)17(14-8-7-12(21)9-16(14)22)28-20(24-11)26-18(27-28)19(29)25-13-5-3-2-4-6-13/h2-9H,10,23H2,1H3,(H,25,29)
InChIKeyCGSRJSMKGGALNH-UHFFFAOYSA-N
MW427.30 g/mol
LogP4.12
Rot. Bonds4

About 6-(aminomethyl)-7-(2,4-dichlorophenyl)-5-methyl-N-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

6-(aminomethyl)-7-(2,4-dichlorophenyl)-5-methyl-N-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 11510166) has the molecular formula C20H16Cl2N6O and a molecular weight of 427.30 g/mol. Its IUPAC name is 6-(aminomethyl)-7-(2,4-dichlorophenyl)-5-methyl-N-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name6-(aminomethyl)-7-(2,4-dichlorophenyl)-5-methyl-N-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID11510166
Molecular FormulaC20H16Cl2N6O
Molecular Weight427.30 g/mol
Exact Mass426.08
IUPAC Name6-(aminomethyl)-7-(2,4-dichlorophenyl)-5-methyl-N-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1nc2nc(C(=O)Nc3ccccc3)nn2c(-c2ccc(Cl)cc2Cl)c1CN
InChIInChI=1S/C20H16Cl2N6O/c1-11-15(10-23)17(14-8-7-12(21)9-16(14)22)28-20(24-11)26-18(27-28)19(29)25-13-5-3-2-4-6-13/h2-9H,10,23H2,1H3,(H,25,29)
InChIKeyCGSRJSMKGGALNH-UHFFFAOYSA-N
XLogP4.12
TPSA98.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.30
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(aminomethyl)-7-(2,4-dichlorophenyl)-5-methyl-N-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide with MolForge

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Related Compounds

N-[2-(4-Chlorophenyl)ethyl]-3-{3,4,6-trimethyl-1-phenyl-1H-pyrazolo[3,4-B]pyridin-5-YL}propanamide
CID 16012484
N-[1-tert-butyl-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]acetamide
CID 1471842
N1-(3-(2,6-dichlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-N2-(tetrahydro-2H-pyran-4-yl)ethane-1,2-diamine
CID 9932616
2-N-(5-chloro-2-methylphenyl)-5-methyl-7-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2,7-diamine
CID 10222156
CE-178,253
CID 11191162
(7-(2,4-Dichlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)methanamine
CID 11493492
(7-(2,4-Dichlorophenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methanamine
CID 11516511
Methyl 6-(aminomethyl)-7-(2,4-dichlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 11537890
(7-(2,4-Dichlorophenyl)-5-methyl-2-p-tolylpyrazolo[1,5-a]pyrimidin-6-yl)methanamine
CID 11574811
(7-(2,4-Dichlorophenyl)-5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methanamine
CID 11596123
(7-(2,4-Dichlorophenyl)-5-methyl-2-o-tolylpyrazolo[1,5-a]pyrimidin-6-yl)methanamine
CID 11625412
(7-(2,4-Dichlorophenyl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methanamine
CID 11632375

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-7-(2,4-dichlorophenyl)-5-methyl-N-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 6-(aminomethyl)-7-(2,4-dichlorophenyl)-5-methyl-N-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 11510166) is 6-(aminomethyl)-7-(2,4-dichlorophenyl)-5-methyl-N-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 6-(aminomethyl)-7-(2,4-dichlorophenyl)-5-methyl-N-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 6-(aminomethyl)-7-(2,4-dichlorophenyl)-5-methyl-N-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1nc2nc(C(=O)Nc3ccccc3)nn2c(-c2ccc(Cl)cc2Cl)c1CN.
What is the InChIKey of 6-(aminomethyl)-7-(2,4-dichlorophenyl)-5-methyl-N-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is CGSRJSMKGGALNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N6O/c1-11-15(10-23)17(14-8-7-12(21)9-16(14)22)28-20(24-11)26-18(27-28)19(29)25-13-5-3-2-4-6-13/h2-9H,10,23H2,1H3,(H,25,29).
What are the key properties of 6-(aminomethyl)-7-(2,4-dichlorophenyl)-5-methyl-N-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
6-(aminomethyl)-7-(2,4-dichlorophenyl)-5-methyl-N-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 427.30 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-7-(2,4-dichlorophenyl)-5-methyl-N-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 11510166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).