N-(2-cycloheptyloxyethyl)-5-cyclopropyl-1-(4-methylphenyl)triazole-4-carboxamide

C22H30N4O2 — CID 86972051

IUPACN-(2-cycloheptyloxyethyl)-5-cyclopropyl-1-(4-methylphenyl)triazole-4-carboxamide
SMILESCc1ccc(-n2nnc(C(=O)NCCOC3CCCCCC3)c2C2CC2)cc1
InChIInChI=1S/C22H30N4O2/c1-16-8-12-18(13-9-16)26-21(17-10-11-17)20(24-25-26)22(27)23-14-15-28-19-6-4-2-3-5-7-19/h8-9,12-13,17,19H,2-7,10-11,14-15H2,1H3,(H,23,27)
InChIKeyVIWGEBFBNPUCIX-UHFFFAOYSA-N
MW382.51 g/mol
LogP3.92
Rot. Bonds7

About N-(2-cycloheptyloxyethyl)-5-cyclopropyl-1-(4-methylphenyl)triazole-4-carboxamide

N-(2-cycloheptyloxyethyl)-5-cyclopropyl-1-(4-methylphenyl)triazole-4-carboxamide (PubChem CID 86972051) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N-(2-cycloheptyloxyethyl)-5-cyclopropyl-1-(4-methylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-cycloheptyloxyethyl)-5-cyclopropyl-1-(4-methylphenyl)triazole-4-carboxamide
PubChem CID86972051
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC NameN-(2-cycloheptyloxyethyl)-5-cyclopropyl-1-(4-methylphenyl)triazole-4-carboxamide
SMILESCc1ccc(-n2nnc(C(=O)NCCOC3CCCCCC3)c2C2CC2)cc1
InChIInChI=1S/C22H30N4O2/c1-16-8-12-18(13-9-16)26-21(17-10-11-17)20(24-25-26)22(27)23-14-15-28-19-6-4-2-3-5-7-19/h8-9,12-13,17,19H,2-7,10-11,14-15H2,1H3,(H,23,27)
InChIKeyVIWGEBFBNPUCIX-UHFFFAOYSA-N
XLogP3.92
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromophenyl)-5-cyclopropyl-N-[2-(methylamino)ethyl]triazole-4-carboxamide;hydrochloride
CID 119504331
methyl N-[[4-[[5-cyclopropyl-1-(4-methylphenyl)triazole-4-carbonyl]amino]phenyl]methyl]-N-methylcarbamate
CID 86965087
5-cyclopropyl-1-(4-methylphenyl)-N'-pyrimidin-2-yltriazole-4-carbohydrazide
CID 172994889
5-cyclopropyl-1-(4-methylphenyl)-N-[(3-propan-2-yloxyphenyl)methyl]triazole-4-carboxamide
CID 86874503
N-[2-[benzyl(methyl)amino]propyl]-5-cyclopropyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 86934070
1-(4-bromophenyl)-5-cyclopropyl-N-[2-(ethylamino)ethyl]triazole-4-carboxamide;hydrochloride
CID 119509493
N-[(4-bromo-3-fluorophenyl)methyl]-5-cyclopropyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 86874598
5-cyclopropyl-N-[4-(dipropylcarbamoyl)phenyl]-1-(4-methylphenyl)triazole-4-carboxamide
CID 86874499
5-cyclopropyl-1-(4-fluorophenyl)-N-(2-sulfamoylethyl)triazole-4-carboxamide
CID 51130190
5-cyclopropyl-1-(4-fluorophenyl)-N-[2-(oxolan-3-ylmethoxy)ethyl]triazole-4-carboxamide
CID 75463024
5-cyclopropyl-1-(4-methylphenyl)-N-[(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)methyl]triazole-4-carboxamide
CID 100906748
[5-cyclopropyl-1-(4-methylphenyl)triazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone
CID 86874602

Frequently Asked Questions

What is the IUPAC name of N-(2-cycloheptyloxyethyl)-5-cyclopropyl-1-(4-methylphenyl)triazole-4-carboxamide?
The IUPAC name of N-(2-cycloheptyloxyethyl)-5-cyclopropyl-1-(4-methylphenyl)triazole-4-carboxamide (CID 86972051) is N-(2-cycloheptyloxyethyl)-5-cyclopropyl-1-(4-methylphenyl)triazole-4-carboxamide.
What is the SMILES notation for N-(2-cycloheptyloxyethyl)-5-cyclopropyl-1-(4-methylphenyl)triazole-4-carboxamide?
The canonical SMILES for N-(2-cycloheptyloxyethyl)-5-cyclopropyl-1-(4-methylphenyl)triazole-4-carboxamide is Cc1ccc(-n2nnc(C(=O)NCCOC3CCCCCC3)c2C2CC2)cc1.
What is the InChIKey of N-(2-cycloheptyloxyethyl)-5-cyclopropyl-1-(4-methylphenyl)triazole-4-carboxamide?
The InChIKey is VIWGEBFBNPUCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-16-8-12-18(13-9-16)26-21(17-10-11-17)20(24-25-26)22(27)23-14-15-28-19-6-4-2-3-5-7-19/h8-9,12-13,17,19H,2-7,10-11,14-15H2,1H3,(H,23,27).
What are the key properties of N-(2-cycloheptyloxyethyl)-5-cyclopropyl-1-(4-methylphenyl)triazole-4-carboxamide?
N-(2-cycloheptyloxyethyl)-5-cyclopropyl-1-(4-methylphenyl)triazole-4-carboxamide has a molecular weight of 382.51 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cycloheptyloxyethyl)-5-cyclopropyl-1-(4-methylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 86972051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).