N-(2-bicyclo[2.2.1]heptanyl)-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide

C17H20N4O — CID 42880858

IUPACN-(2-bicyclo[2.2.1]heptanyl)-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide
SMILESCc1ccc(-n2cnc(C(=O)NC3CC4CCC3C4)n2)cc1
InChIInChI=1S/C17H20N4O/c1-11-2-6-14(7-3-11)21-10-18-16(20-21)17(22)19-15-9-12-4-5-13(15)8-12/h2-3,6-7,10,12-13,15H,4-5,8-9H2,1H3,(H,19,22)
InChIKeyQKOZUEXQLHQZMQ-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.49
Rot. Bonds3

About N-(2-bicyclo[2.2.1]heptanyl)-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide

N-(2-bicyclo[2.2.1]heptanyl)-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide (PubChem CID 42880858) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide
PubChem CID42880858
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide
SMILESCc1ccc(-n2cnc(C(=O)NC3CC4CCC3C4)n2)cc1
InChIInChI=1S/C17H20N4O/c1-11-2-6-14(7-3-11)21-10-18-16(20-21)17(22)19-15-9-12-4-5-13(15)8-12/h2-3,6-7,10,12-13,15H,4-5,8-9H2,1H3,(H,19,22)
InChIKeyQKOZUEXQLHQZMQ-UHFFFAOYSA-N
XLogP2.49
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bicyclo[2.2.1]heptanyl)-5-(furan-3-yl)-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide
CID 42692923
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-[4-(3,5-dimethylphenyl)phenyl]imidazole-4-carboxamide
CID 98328604
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide
CID 93016515
N-(2-bicyclo[2.2.1]heptanyl)-2-(4-methylphenyl)sulfanylacetamide
CID 2896571
1-(4-methylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-triazole-3-carboxamide
CID 93016508
N-[(1S,2R)-2-bicyclo[2.2.1]heptanyl]-2,5-dimethyl-1-phenylimidazole-4-carboxamide
CID 91040243
N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-(4-methylphenyl)propanamide
CID 41454328
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 99643437
ethane;methyl 1-(4-methylphenyl)-1,2,4-triazole-3-carboxylate
CID 144636551
N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-methylbenzamide
CID 958830
(E)-N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-(4-methylphenyl)prop-2-enamide
CID 124833892
N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 1338021

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide (CID 42880858) is N-(2-bicyclo[2.2.1]heptanyl)-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide is Cc1ccc(-n2cnc(C(=O)NC3CC4CCC3C4)n2)cc1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide?
The InChIKey is QKOZUEXQLHQZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-11-2-6-14(7-3-11)21-10-18-16(20-21)17(22)19-15-9-12-4-5-13(15)8-12/h2-3,6-7,10,12-13,15H,4-5,8-9H2,1H3,(H,19,22).
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide?
N-(2-bicyclo[2.2.1]heptanyl)-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 42880858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).