7-(2-chlorophenyl)-5-methyl-N-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide

C19H17ClN6O — CID 4611158

IUPAC7-(2-chlorophenyl)-5-methyl-N-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2ccc(C)cc2)C(c2ccccc2Cl)n2nnnc2N1
InChIInChI=1S/C19H17ClN6O/c1-11-7-9-13(10-8-11)22-18(27)16-12(2)21-19-23-24-25-26(19)17(16)14-5-3-4-6-15(14)20/h3-10,17H,1-2H3,(H,22,27)(H,21,23,25)
InChIKeyFKXCPPGJFMTQPI-UHFFFAOYSA-N
MW380.84 g/mol
LogP3.56
Rot. Bonds3

About 7-(2-chlorophenyl)-5-methyl-N-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide

7-(2-chlorophenyl)-5-methyl-N-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 4611158) has the molecular formula C19H17ClN6O and a molecular weight of 380.84 g/mol. Its IUPAC name is 7-(2-chlorophenyl)-5-methyl-N-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-(2-chlorophenyl)-5-methyl-N-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID4611158
Molecular FormulaC19H17ClN6O
Molecular Weight380.84 g/mol
Exact Mass380.12
IUPAC Name7-(2-chlorophenyl)-5-methyl-N-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2ccc(C)cc2)C(c2ccccc2Cl)n2nnnc2N1
InChIInChI=1S/C19H17ClN6O/c1-11-7-9-13(10-8-11)22-18(27)16-12(2)21-19-23-24-25-26(19)17(16)14-5-3-4-6-15(14)20/h3-10,17H,1-2H3,(H,22,27)(H,21,23,25)
InChIKeyFKXCPPGJFMTQPI-UHFFFAOYSA-N
XLogP3.56
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.84
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-chloro-2-methylphenyl)-7-(2-fluorophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135410515
2-{[(2-Chlorophenyl)methyl]sulfanyl}-N-(2,4-dimethylphenyl)-5-methyl-7-(propan-2-YL)-4H,7H-[1,2,4]triazolo[1,5-A]pyrimidine-6-carboxamide
CID 135416478
7-(4-Chlorophenyl)-5-methyl-N-(4-methylphenyl)-4H,7H-[1,2,3,4]tetrazolo[1,5-A]pyrimidine-6-carboxamide
CID 4145589
2-{[(2-Chlorophenyl)methyl]sulfanyl}-7-[4-(diethylamino)phenyl]-5-methyl-4H,7H-[1,2,4]triazolo[1,5-A]pyrimidine-6-carboxamide
CID 4349532
7-(4-(Diethylamino)phenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135410504
N-(4-chlorophenyl)-5-methyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135413860
7-(2,4-Dichlorophenyl)-2-(ethylsulfanyl)-5-methyl-N-(2-methylphenyl)-4H,7H-[1,2,4]triazolo[1,5-A]pyrimidine-6-carboxamide
CID 135437018
7-(4-fluorophenyl)-5-methyl-N-phenyl-4,7-dihydrotetraazolo[1,5-a]pyrimidine-6-carboxamide
CID 2791027
N-(4-chlorophenyl)-7-(3-fluorophenyl)-5-methyl-4,7-dihydrotetraazolo[1,5-a]pyrimidine-6-carboxamide
CID 4401525
N-(4-chlorophenyl)-7-(4-ethylphenyl)-5-methyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 4450997
N-[4-[[2-(2-chlorophenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 46403138
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-(tetrazol-1-yl)benzamide
CID 51179576

Frequently Asked Questions

What is the IUPAC name of 7-(2-chlorophenyl)-5-methyl-N-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-(2-chlorophenyl)-5-methyl-N-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide (CID 4611158) is 7-(2-chlorophenyl)-5-methyl-N-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-(2-chlorophenyl)-5-methyl-N-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-(2-chlorophenyl)-5-methyl-N-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide is CC1=C(C(=O)Nc2ccc(C)cc2)C(c2ccccc2Cl)n2nnnc2N1.
What is the InChIKey of 7-(2-chlorophenyl)-5-methyl-N-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is FKXCPPGJFMTQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN6O/c1-11-7-9-13(10-8-11)22-18(27)16-12(2)21-19-23-24-25-26(19)17(16)14-5-3-4-6-15(14)20/h3-10,17H,1-2H3,(H,22,27)(H,21,23,25).
What are the key properties of 7-(2-chlorophenyl)-5-methyl-N-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
7-(2-chlorophenyl)-5-methyl-N-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 380.84 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-chlorophenyl)-5-methyl-N-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 4611158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).