N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-2-ethoxybenzamide

C15H18N4O2 — CID 56781993

IUPACN-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NCc1nncn1C1CC1
InChIInChI=1S/C15H18N4O2/c1-2-21-13-6-4-3-5-12(13)15(20)16-9-14-18-17-10-19(14)11-7-8-11/h3-6,10-11H,2,7-9H2,1H3,(H,16,20)
InChIKeyZJTXZIRVXLTAGN-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.94
Rot. Bonds6

About N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-2-ethoxybenzamide

N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-2-ethoxybenzamide (PubChem CID 56781993) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-2-ethoxybenzamide.

Molecular Properties

Compound NameN-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-2-ethoxybenzamide
PubChem CID56781993
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC NameN-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NCc1nncn1C1CC1
InChIInChI=1S/C15H18N4O2/c1-2-21-13-6-4-3-5-12(13)15(20)16-9-14-18-17-10-19(14)11-7-8-11/h3-6,10-11H,2,7-9H2,1H3,(H,16,20)
InChIKeyZJTXZIRVXLTAGN-UHFFFAOYSA-N
XLogP1.94
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-2-ethoxybenzamide?
The IUPAC name of N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-2-ethoxybenzamide (CID 56781993) is N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-2-ethoxybenzamide.
What is the SMILES notation for N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-2-ethoxybenzamide?
The canonical SMILES for N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-2-ethoxybenzamide is CCOc1ccccc1C(=O)NCc1nncn1C1CC1.
What is the InChIKey of N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-2-ethoxybenzamide?
The InChIKey is ZJTXZIRVXLTAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-2-21-13-6-4-3-5-12(13)15(20)16-9-14-18-17-10-19(14)11-7-8-11/h3-6,10-11H,2,7-9H2,1H3,(H,16,20).
What are the key properties of N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-2-ethoxybenzamide?
N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-2-ethoxybenzamide has a molecular weight of 286.34 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-2-ethoxybenzamide is sourced from PubChem (CID 56781993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).