N-(1-benzyltriazol-4-yl)cyclopentanecarboxamide

C15H18N4O — CID 86817315

IUPACN-(1-benzyltriazol-4-yl)cyclopentanecarboxamide
SMILESO=C(Nc1cn(Cc2ccccc2)nn1)C1CCCC1
InChIInChI=1S/C15H18N4O/c20-15(13-8-4-5-9-13)16-14-11-19(18-17-14)10-12-6-2-1-3-7-12/h1-3,6-7,11,13H,4-5,8-10H2,(H,16,20)
InChIKeyGOYJVVPRPLZWNU-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.46
Rot. Bonds4

About N-(1-benzyltriazol-4-yl)cyclopentanecarboxamide

N-(1-benzyltriazol-4-yl)cyclopentanecarboxamide (PubChem CID 86817315) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is N-(1-benzyltriazol-4-yl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(1-benzyltriazol-4-yl)cyclopentanecarboxamide
PubChem CID86817315
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC NameN-(1-benzyltriazol-4-yl)cyclopentanecarboxamide
SMILESO=C(Nc1cn(Cc2ccccc2)nn1)C1CCCC1
InChIInChI=1S/C15H18N4O/c20-15(13-8-4-5-9-13)16-14-11-19(18-17-14)10-12-6-2-1-3-7-12/h1-3,6-7,11,13H,4-5,8-10H2,(H,16,20)
InChIKeyGOYJVVPRPLZWNU-UHFFFAOYSA-N
XLogP2.46
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzyltriazol-4-yl)-N',N'-diethylethane-1,2-diamine
CID 76683978
1-benzyl-N-(2-(pyrrolidin-1-yl)ethyl)-1H-1,2,3-triazol-4-amine hydrochloride
CID 76683889
US10246426, Example 24
CID 118962221
3-(2,5-dihydro-1H-pyrrol-1-ylmethyl)-N-(1-propyl-1H-1,2,3-triazol-4-yl)benzamide
CID 50961537
Benzoylaminotriazole
CID 53762616
(1R,2S)-2-methyl-N-(3-methyltriazol-4-yl)-2-phenylcyclopropane-1-carboxamide
CID 136588625
N-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]formamide
CID 90192786
N-[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]acetamide
CID 122441027
3-[1-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]-2H-pyridin-4-yl]propanamide
CID 122441034
(2S)-2-amino-N-[1-[(3-fluorophenyl)methyl]triazol-4-yl]-3-methoxypropanamide
CID 122441036
3-(3-chlorophenyl)-N-[1-[(4-fluorophenyl)methyl]triazol-4-yl]propanamide
CID 122441037
1-[1-[(2,6-Difluorophenyl)methyl]triazol-4-yl]imidazolidin-2-one
CID 122441046

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyltriazol-4-yl)cyclopentanecarboxamide?
The IUPAC name of N-(1-benzyltriazol-4-yl)cyclopentanecarboxamide (CID 86817315) is N-(1-benzyltriazol-4-yl)cyclopentanecarboxamide.
What is the SMILES notation for N-(1-benzyltriazol-4-yl)cyclopentanecarboxamide?
The canonical SMILES for N-(1-benzyltriazol-4-yl)cyclopentanecarboxamide is O=C(Nc1cn(Cc2ccccc2)nn1)C1CCCC1.
What is the InChIKey of N-(1-benzyltriazol-4-yl)cyclopentanecarboxamide?
The InChIKey is GOYJVVPRPLZWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c20-15(13-8-4-5-9-13)16-14-11-19(18-17-14)10-12-6-2-1-3-7-12/h1-3,6-7,11,13H,4-5,8-10H2,(H,16,20).
What are the key properties of N-(1-benzyltriazol-4-yl)cyclopentanecarboxamide?
N-(1-benzyltriazol-4-yl)cyclopentanecarboxamide has a molecular weight of 270.34 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyltriazol-4-yl)cyclopentanecarboxamide is sourced from PubChem (CID 86817315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).