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

C17H20N4O2 — CID 71876678

IUPAC2-(cyclopropylmethoxy)-N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]benzamide
SMILESO=C(NCc1nncn1C1CC1)c1ccccc1OCC1CC1
InChIInChI=1S/C17H20N4O2/c22-17(18-9-16-20-19-11-21(16)13-7-8-13)14-3-1-2-4-15(14)23-10-12-5-6-12/h1-4,11-13H,5-10H2,(H,18,22)
InChIKeyFSECFKCONGEVLS-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.33
Rot. Bonds7

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

2-(cyclopropylmethoxy)-N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]benzamide (PubChem CID 71876678) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]benzamide
PubChem CID71876678
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name2-(cyclopropylmethoxy)-N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]benzamide
SMILESO=C(NCc1nncn1C1CC1)c1ccccc1OCC1CC1
InChIInChI=1S/C17H20N4O2/c22-17(18-9-16-20-19-11-21(16)13-7-8-13)14-3-1-2-4-15(14)23-10-12-5-6-12/h1-4,11-13H,5-10H2,(H,18,22)
InChIKeyFSECFKCONGEVLS-UHFFFAOYSA-N
XLogP2.33
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]benzamide?
The IUPAC name of 2-(cyclopropylmethoxy)-N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]benzamide (CID 71876678) is 2-(cyclopropylmethoxy)-N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]benzamide.
What is the SMILES notation for 2-(cyclopropylmethoxy)-N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]benzamide?
The canonical SMILES for 2-(cyclopropylmethoxy)-N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]benzamide is O=C(NCc1nncn1C1CC1)c1ccccc1OCC1CC1.
What is the InChIKey of 2-(cyclopropylmethoxy)-N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]benzamide?
The InChIKey is FSECFKCONGEVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c22-17(18-9-16-20-19-11-21(16)13-7-8-13)14-3-1-2-4-15(14)23-10-12-5-6-12/h1-4,11-13H,5-10H2,(H,18,22).
What are the key properties of 2-(cyclopropylmethoxy)-N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]benzamide?
2-(cyclopropylmethoxy)-N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]benzamide has a molecular weight of 312.37 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]benzamide is sourced from PubChem (CID 71876678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).