N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-1-(4-methylphenyl)triazole-4-carboxamide

C19H18N8O2 — CID 134813277

IUPACN-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-1-(4-methylphenyl)triazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cn(-c3ccc(C)cc3)nn2)cc1-n1nnnc1C
InChIInChI=1S/C19H18N8O2/c1-12-4-7-15(8-5-12)26-11-16(22-24-26)19(28)20-14-6-9-18(29-3)17(10-14)27-13(2)21-23-25-27/h4-11H,1-3H3,(H,20,28)
InChIKeyXUPLHNDWPFUOME-UHFFFAOYSA-N
MW390.41 g/mol
LogP2.12
Rot. Bonds5

About N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-1-(4-methylphenyl)triazole-4-carboxamide

N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-1-(4-methylphenyl)triazole-4-carboxamide (PubChem CID 134813277) has the molecular formula C19H18N8O2 and a molecular weight of 390.41 g/mol. Its IUPAC name is N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-1-(4-methylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-1-(4-methylphenyl)triazole-4-carboxamide
PubChem CID134813277
Molecular FormulaC19H18N8O2
Molecular Weight390.41 g/mol
Exact Mass390.16
IUPAC NameN-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-1-(4-methylphenyl)triazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cn(-c3ccc(C)cc3)nn2)cc1-n1nnnc1C
InChIInChI=1S/C19H18N8O2/c1-12-4-7-15(8-5-12)26-11-16(22-24-26)19(28)20-14-6-9-18(29-3)17(10-14)27-13(2)21-23-25-27/h4-11H,1-3H3,(H,20,28)
InChIKeyXUPLHNDWPFUOME-UHFFFAOYSA-N
XLogP2.12
TPSA112.64 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-2-methyl-4-(1,2,4-triazol-1-yl)benzamide
CID 136528151
(2S)-2-amino-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]propanamide
CID 119313707
1-[(2R)-butan-2-yl]-3-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-1-methylurea
CID 95317921
N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-6-phenylpyridazine-4-carboxamide
CID 167800736
2-(2-aminoethyl)-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120629916
1-amino-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119766630
4-bromo-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56586278
N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]piperidine-4-carboxamide
CID 119313715
N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 167747098
1-(4-methylphenyl)triazole-4-carbonyl chloride
CID 71320958
N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 52866977
N-(2,5-dimethylphenyl)-1-(4-methylphenyl)triazole-4-carboxamide
CID 38951839

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-1-(4-methylphenyl)triazole-4-carboxamide?
The IUPAC name of N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-1-(4-methylphenyl)triazole-4-carboxamide (CID 134813277) is N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-1-(4-methylphenyl)triazole-4-carboxamide.
What is the SMILES notation for N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-1-(4-methylphenyl)triazole-4-carboxamide?
The canonical SMILES for N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-1-(4-methylphenyl)triazole-4-carboxamide is COc1ccc(NC(=O)c2cn(-c3ccc(C)cc3)nn2)cc1-n1nnnc1C.
What is the InChIKey of N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-1-(4-methylphenyl)triazole-4-carboxamide?
The InChIKey is XUPLHNDWPFUOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N8O2/c1-12-4-7-15(8-5-12)26-11-16(22-24-26)19(28)20-14-6-9-18(29-3)17(10-14)27-13(2)21-23-25-27/h4-11H,1-3H3,(H,20,28).
What are the key properties of N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-1-(4-methylphenyl)triazole-4-carboxamide?
N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-1-(4-methylphenyl)triazole-4-carboxamide has a molecular weight of 390.41 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-1-(4-methylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 134813277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).