N-(1-methylcyclobutyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide

C15H18N4O — CID 92583010

IUPACN-(1-methylcyclobutyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESCC1(NC(=O)c2ccc(Cn3cncn3)cc2)CCC1
InChIInChI=1S/C15H18N4O/c1-15(7-2-8-15)18-14(20)13-5-3-12(4-6-13)9-19-11-16-10-17-19/h3-6,10-11H,2,7-9H2,1H3,(H,18,20)
InChIKeyKCKVEAAFYVBZLQ-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.00
Rot. Bonds4

About N-(1-methylcyclobutyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide

N-(1-methylcyclobutyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide (PubChem CID 92583010) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is N-(1-methylcyclobutyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(1-methylcyclobutyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
PubChem CID92583010
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC NameN-(1-methylcyclobutyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESCC1(NC(=O)c2ccc(Cn3cncn3)cc2)CCC1
InChIInChI=1S/C15H18N4O/c1-15(7-2-8-15)18-14(20)13-5-3-12(4-6-13)9-19-11-16-10-17-19/h3-6,10-11H,2,7-9H2,1H3,(H,18,20)
InChIKeyKCKVEAAFYVBZLQ-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,2,4-triazol-1-ylmethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 18145582
N-[4-(methylcarbamoyl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 24603454
N-(1-methoxypropan-2-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 18161214
N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 35251102
N-(4-tert-butylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 51306669
4-[(S)-methylsulfinyl]-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide
CID 94588492
N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 95167728
N-[2-(4-methylpiperidin-1-yl)propyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 47082081
N-(1-methylpyrazol-3-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 18152748
N-[[4-(3,5-dimethylphenyl)oxan-4-yl]methyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 46971842
piperidin-1-yl-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone
CID 53001379
N-(1-methylcyclopropyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 130626359

Frequently Asked Questions

What is the IUPAC name of N-(1-methylcyclobutyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The IUPAC name of N-(1-methylcyclobutyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide (CID 92583010) is N-(1-methylcyclobutyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-(1-methylcyclobutyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The canonical SMILES for N-(1-methylcyclobutyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide is CC1(NC(=O)c2ccc(Cn3cncn3)cc2)CCC1.
What is the InChIKey of N-(1-methylcyclobutyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The InChIKey is KCKVEAAFYVBZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-15(7-2-8-15)18-14(20)13-5-3-12(4-6-13)9-19-11-16-10-17-19/h3-6,10-11H,2,7-9H2,1H3,(H,18,20).
What are the key properties of N-(1-methylcyclobutyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide?
N-(1-methylcyclobutyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide has a molecular weight of 270.34 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylcyclobutyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide is sourced from PubChem (CID 92583010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).