5-methyl-N-(3-methylphenyl)-7-(3-propoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide

C22H24N6O2 — CID 135662452

IUPAC5-methyl-N-(3-methylphenyl)-7-(3-propoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCCOc1cccc(C2C(C(=O)Nc3cccc(C)c3)=C(C)Nc3nnnn32)c1
InChIInChI=1S/C22H24N6O2/c1-4-11-30-18-10-6-8-16(13-18)20-19(15(3)23-22-25-26-27-28(20)22)21(29)24-17-9-5-7-14(2)12-17/h5-10,12-13,20H,4,11H2,1-3H3,(H,24,29)(H,23,25,27)
InChIKeyHOHKTQNWFHVXLL-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.70
Rot. Bonds6

About 5-methyl-N-(3-methylphenyl)-7-(3-propoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide

5-methyl-N-(3-methylphenyl)-7-(3-propoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 135662452) has the molecular formula C22H24N6O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is 5-methyl-N-(3-methylphenyl)-7-(3-propoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(3-methylphenyl)-7-(3-propoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID135662452
Molecular FormulaC22H24N6O2
Molecular Weight404.47 g/mol
Exact Mass404.20
IUPAC Name5-methyl-N-(3-methylphenyl)-7-(3-propoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCCOc1cccc(C2C(C(=O)Nc3cccc(C)c3)=C(C)Nc3nnnn32)c1
InChIInChI=1S/C22H24N6O2/c1-4-11-30-18-10-6-8-16(13-18)20-19(15(3)23-22-25-26-27-28(20)22)21(29)24-17-9-5-7-14(2)12-17/h5-10,12-13,20H,4,11H2,1-3H3,(H,24,29)(H,23,25,27)
InChIKeyHOHKTQNWFHVXLL-UHFFFAOYSA-N
XLogP3.70
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-methyl-N-(3-methylphenyl)-7-[3-[(2-methylphenyl)methoxy]phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135662527
5-methyl-7-[3-[(4-methylphenyl)methoxy]phenyl]-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135827095
(7R)-7-(3-methoxyphenyl)-5-methyl-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135845438
(7R)-7-(4-butoxyphenyl)-5-methyl-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135849038
7-(4-tert-butylphenyl)-5-methyl-N-(3-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135660790
7-(3-butoxyphenyl)-5-methyl-N-(3-methylphenyl)-2-propylsulfanyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135662471
(7S)-7-(3-ethoxyphenyl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 1178884
7-(5-bromo-2-ethoxyphenyl)-5-methyl-N-(3-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135662614
5-methyl-N-(3-methylphenyl)-7-(4-nitrophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135662787
N-(2,4-dimethylphenyl)-5-methyl-7-(3-propan-2-yloxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135827110
(7S)-7-(5-bromo-2-propoxyphenyl)-5-methyl-N-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 136761516
5-methyl-N-(3-methylphenyl)-7-(3-propan-2-yloxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135662554

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(3-methylphenyl)-7-(3-propoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 5-methyl-N-(3-methylphenyl)-7-(3-propoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide (CID 135662452) is 5-methyl-N-(3-methylphenyl)-7-(3-propoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-methyl-N-(3-methylphenyl)-7-(3-propoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 5-methyl-N-(3-methylphenyl)-7-(3-propoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide is CCCOc1cccc(C2C(C(=O)Nc3cccc(C)c3)=C(C)Nc3nnnn32)c1.
What is the InChIKey of 5-methyl-N-(3-methylphenyl)-7-(3-propoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is HOHKTQNWFHVXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2/c1-4-11-30-18-10-6-8-16(13-18)20-19(15(3)23-22-25-26-27-28(20)22)21(29)24-17-9-5-7-14(2)12-17/h5-10,12-13,20H,4,11H2,1-3H3,(H,24,29)(H,23,25,27).
What are the key properties of 5-methyl-N-(3-methylphenyl)-7-(3-propoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
5-methyl-N-(3-methylphenyl)-7-(3-propoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(3-methylphenyl)-7-(3-propoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135662452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).