2-ethyl-N-[1-(1H-1,2,4-triazol-5-yl)cyclobutyl]benzamide

C15H18N4O — CID 136539503

IUPAC2-ethyl-N-[1-(1H-1,2,4-triazol-5-yl)cyclobutyl]benzamide
SMILESCCc1ccccc1C(=O)NC1(c2ncn[nH]2)CCC1
InChIInChI=1S/C15H18N4O/c1-2-11-6-3-4-7-12(11)13(20)18-15(8-5-9-15)14-16-10-17-19-14/h3-4,6-7,10H,2,5,8-9H2,1H3,(H,18,20)(H,16,17,19)
InChIKeyBUDNXCBWHQKVLB-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.18
Rot. Bonds4

About 2-ethyl-N-[1-(1H-1,2,4-triazol-5-yl)cyclobutyl]benzamide

2-ethyl-N-[1-(1H-1,2,4-triazol-5-yl)cyclobutyl]benzamide (PubChem CID 136539503) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 2-ethyl-N-[1-(1H-1,2,4-triazol-5-yl)cyclobutyl]benzamide.

Molecular Properties

Compound Name2-ethyl-N-[1-(1H-1,2,4-triazol-5-yl)cyclobutyl]benzamide
PubChem CID136539503
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name2-ethyl-N-[1-(1H-1,2,4-triazol-5-yl)cyclobutyl]benzamide
SMILESCCc1ccccc1C(=O)NC1(c2ncn[nH]2)CCC1
InChIInChI=1S/C15H18N4O/c1-2-11-6-3-4-7-12(11)13(20)18-15(8-5-9-15)14-16-10-17-19-14/h3-4,6-7,10H,2,5,8-9H2,1H3,(H,18,20)(H,16,17,19)
InChIKeyBUDNXCBWHQKVLB-UHFFFAOYSA-N
XLogP2.18
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[1-(1H-1,2,4-triazol-5-yl)cyclobutyl]benzamide?
The IUPAC name of 2-ethyl-N-[1-(1H-1,2,4-triazol-5-yl)cyclobutyl]benzamide (CID 136539503) is 2-ethyl-N-[1-(1H-1,2,4-triazol-5-yl)cyclobutyl]benzamide.
What is the SMILES notation for 2-ethyl-N-[1-(1H-1,2,4-triazol-5-yl)cyclobutyl]benzamide?
The canonical SMILES for 2-ethyl-N-[1-(1H-1,2,4-triazol-5-yl)cyclobutyl]benzamide is CCc1ccccc1C(=O)NC1(c2ncn[nH]2)CCC1.
What is the InChIKey of 2-ethyl-N-[1-(1H-1,2,4-triazol-5-yl)cyclobutyl]benzamide?
The InChIKey is BUDNXCBWHQKVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-2-11-6-3-4-7-12(11)13(20)18-15(8-5-9-15)14-16-10-17-19-14/h3-4,6-7,10H,2,5,8-9H2,1H3,(H,18,20)(H,16,17,19).
What are the key properties of 2-ethyl-N-[1-(1H-1,2,4-triazol-5-yl)cyclobutyl]benzamide?
2-ethyl-N-[1-(1H-1,2,4-triazol-5-yl)cyclobutyl]benzamide has a molecular weight of 270.34 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[1-(1H-1,2,4-triazol-5-yl)cyclobutyl]benzamide is sourced from PubChem (CID 136539503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).