N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]bicyclo[3.1.0]hexane-6-carboxamide

C12H18N4O — CID 119037063

IUPACN-[(2-ethyl-1,2,4-triazol-3-yl)methyl]bicyclo[3.1.0]hexane-6-carboxamide
SMILESCCn1ncnc1CNC(=O)C1C2CCCC21
InChIInChI=1S/C12H18N4O/c1-2-16-10(14-7-15-16)6-13-12(17)11-8-4-3-5-9(8)11/h7-9,11H,2-6H2,1H3,(H,13,17)
InChIKeyJARYMRQUKOKAMU-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.96
Rot. Bonds4

About N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]bicyclo[3.1.0]hexane-6-carboxamide

N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]bicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 119037063) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]bicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound NameN-[(2-ethyl-1,2,4-triazol-3-yl)methyl]bicyclo[3.1.0]hexane-6-carboxamide
PubChem CID119037063
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC NameN-[(2-ethyl-1,2,4-triazol-3-yl)methyl]bicyclo[3.1.0]hexane-6-carboxamide
SMILESCCn1ncnc1CNC(=O)C1C2CCCC21
InChIInChI=1S/C12H18N4O/c1-2-16-10(14-7-15-16)6-13-12(17)11-8-4-3-5-9(8)11/h7-9,11H,2-6H2,1H3,(H,13,17)
InChIKeyJARYMRQUKOKAMU-UHFFFAOYSA-N
XLogP0.96
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]bicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]bicyclo[3.1.0]hexane-6-carboxamide (CID 119037063) is N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]bicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]bicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]bicyclo[3.1.0]hexane-6-carboxamide is CCn1ncnc1CNC(=O)C1C2CCCC21.
What is the InChIKey of N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]bicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is JARYMRQUKOKAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-2-16-10(14-7-15-16)6-13-12(17)11-8-4-3-5-9(8)11/h7-9,11H,2-6H2,1H3,(H,13,17).
What are the key properties of N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]bicyclo[3.1.0]hexane-6-carboxamide?
N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]bicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]bicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 119037063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).