1-(4-methylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-triazole-3-carboxamide

C20H20N4O — CID 93016508

IUPAC1-(4-methylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-triazole-3-carboxamide
SMILESCc1ccc(-n2cnc(C(=O)N[C@H]3CCCc4ccccc43)n2)cc1
InChIInChI=1S/C20H20N4O/c1-14-9-11-16(12-10-14)24-13-21-19(23-24)20(25)22-18-8-4-6-15-5-2-3-7-17(15)18/h2-3,5,7,9-13,18H,4,6,8H2,1H3,(H,22,25)/t18-/m0/s1
InChIKeyRSCLUIWQVGFUPM-SFHVURJKSA-N
MW332.41 g/mol
LogP3.38
Rot. Bonds3

About 1-(4-methylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-triazole-3-carboxamide

1-(4-methylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-triazole-3-carboxamide (PubChem CID 93016508) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-triazole-3-carboxamide
PubChem CID93016508
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name1-(4-methylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-triazole-3-carboxamide
SMILESCc1ccc(-n2cnc(C(=O)N[C@H]3CCCc4ccccc43)n2)cc1
InChIInChI=1S/C20H20N4O/c1-14-9-11-16(12-10-14)24-13-21-19(23-24)20(25)22-18-8-4-6-15-5-2-3-7-17(15)18/h2-3,5,7,9-13,18H,4,6,8H2,1H3,(H,22,25)/t18-/m0/s1
InChIKeyRSCLUIWQVGFUPM-SFHVURJKSA-N
XLogP3.38
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-triazole-3-carboxamide
CID 42692709
1,3,5-trimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazole-4-carboxamide
CID 45148404
3,5-dimethyl-1-[(4-methylphenyl)methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazole-4-carboxamide
CID 42978287
2,5-dimethyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 7919785
2-(4-methylphenyl)-3-oxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4-dihydropyridazine-6-carboxamide
CID 2029285
1-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazole-3-carboxamide
CID 35324690
3-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2-oxazole-4-carboxamide
CID 11149532
2,3,4,5,6-pentafluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 71474180
2,4-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazo[1,5-a]pyrimidine-8-carboxamide
CID 121318927
2-(benzimidazol-1-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 40512092
1-ethyl-3-methyl-6-(4-methylphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 51852866
3-methyl-1-propyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazole-4-carboxamide
CID 131898012

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(4-methylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-triazole-3-carboxamide (CID 93016508) is 1-(4-methylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(4-methylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(4-methylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-triazole-3-carboxamide is Cc1ccc(-n2cnc(C(=O)N[C@H]3CCCc4ccccc43)n2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-triazole-3-carboxamide?
The InChIKey is RSCLUIWQVGFUPM-SFHVURJKSA-N. The full InChI is InChI=1S/C20H20N4O/c1-14-9-11-16(12-10-14)24-13-21-19(23-24)20(25)22-18-8-4-6-15-5-2-3-7-17(15)18/h2-3,5,7,9-13,18H,4,6,8H2,1H3,(H,22,25)/t18-/m0/s1.
What are the key properties of 1-(4-methylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-triazole-3-carboxamide?
1-(4-methylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-triazole-3-carboxamide has a molecular weight of 332.41 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 93016508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).