N-[(1S,3R)-3-cyclopropylcyclohexyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide

C19H24N4O — CID 96565837

IUPACN-[(1S,3R)-3-cyclopropylcyclohexyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESO=C(N[C@H]1CCC[C@@H](C2CC2)C1)c1ccccc1Cn1cncn1
InChIInChI=1S/C19H24N4O/c24-19(22-17-6-3-5-15(10-17)14-8-9-14)18-7-2-1-4-16(18)11-23-13-20-12-21-23/h1-2,4,7,12-15,17H,3,5-6,8-11H2,(H,22,24)/t15-,17+/m1/s1
InChIKeyZIPRIHINPRXDNW-WBVHZDCISA-N
MW324.43 g/mol
LogP3.03
Rot. Bonds5

About N-[(1S,3R)-3-cyclopropylcyclohexyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide

N-[(1S,3R)-3-cyclopropylcyclohexyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide (PubChem CID 96565837) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is N-[(1S,3R)-3-cyclopropylcyclohexyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(1S,3R)-3-cyclopropylcyclohexyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide
PubChem CID96565837
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC NameN-[(1S,3R)-3-cyclopropylcyclohexyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESO=C(N[C@H]1CCC[C@@H](C2CC2)C1)c1ccccc1Cn1cncn1
InChIInChI=1S/C19H24N4O/c24-19(22-17-6-3-5-15(10-17)14-8-9-14)18-7-2-1-4-16(18)11-23-13-20-12-21-23/h1-2,4,7,12-15,17H,3,5-6,8-11H2,(H,22,24)/t15-,17+/m1/s1
InChIKeyZIPRIHINPRXDNW-WBVHZDCISA-N
XLogP3.03
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,3R)-3-cyclopropylcyclohexyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide?
The IUPAC name of N-[(1S,3R)-3-cyclopropylcyclohexyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide (CID 96565837) is N-[(1S,3R)-3-cyclopropylcyclohexyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[(1S,3R)-3-cyclopropylcyclohexyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[(1S,3R)-3-cyclopropylcyclohexyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide is O=C(N[C@H]1CCC[C@@H](C2CC2)C1)c1ccccc1Cn1cncn1.
What is the InChIKey of N-[(1S,3R)-3-cyclopropylcyclohexyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide?
The InChIKey is ZIPRIHINPRXDNW-WBVHZDCISA-N. The full InChI is InChI=1S/C19H24N4O/c24-19(22-17-6-3-5-15(10-17)14-8-9-14)18-7-2-1-4-16(18)11-23-13-20-12-21-23/h1-2,4,7,12-15,17H,3,5-6,8-11H2,(H,22,24)/t15-,17+/m1/s1.
What are the key properties of N-[(1S,3R)-3-cyclopropylcyclohexyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide?
N-[(1S,3R)-3-cyclopropylcyclohexyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide has a molecular weight of 324.43 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3R)-3-cyclopropylcyclohexyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide is sourced from PubChem (CID 96565837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).