[5-(6-bicyclo[3.1.0]hexanyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine

C11H18N4 — CID 112593535

IUPAC[5-(6-bicyclo[3.1.0]hexanyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine
SMILESCCn1c(CN)nnc1C1C2CCCC21
InChIInChI=1S/C11H18N4/c1-2-15-9(6-12)13-14-11(15)10-7-4-3-5-8(7)10/h7-8,10H,2-6,12H2,1H3
InChIKeyQKBLLWQMCHBJBA-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.27
Rot. Bonds3

About [5-(6-bicyclo[3.1.0]hexanyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine

[5-(6-bicyclo[3.1.0]hexanyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine (PubChem CID 112593535) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is [5-(6-bicyclo[3.1.0]hexanyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-(6-bicyclo[3.1.0]hexanyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine
PubChem CID112593535
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name[5-(6-bicyclo[3.1.0]hexanyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine
SMILESCCn1c(CN)nnc1C1C2CCCC21
InChIInChI=1S/C11H18N4/c1-2-15-9(6-12)13-14-11(15)10-7-4-3-5-8(7)10/h7-8,10H,2-6,12H2,1H3
InChIKeyQKBLLWQMCHBJBA-UHFFFAOYSA-N
XLogP1.27
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(6-bicyclo[3.1.0]hexanyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [5-(6-bicyclo[3.1.0]hexanyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine (CID 112593535) is [5-(6-bicyclo[3.1.0]hexanyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [5-(6-bicyclo[3.1.0]hexanyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [5-(6-bicyclo[3.1.0]hexanyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine is CCn1c(CN)nnc1C1C2CCCC21.
What is the InChIKey of [5-(6-bicyclo[3.1.0]hexanyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine?
The InChIKey is QKBLLWQMCHBJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-2-15-9(6-12)13-14-11(15)10-7-4-3-5-8(7)10/h7-8,10H,2-6,12H2,1H3.
What are the key properties of [5-(6-bicyclo[3.1.0]hexanyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine?
[5-(6-bicyclo[3.1.0]hexanyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine has a molecular weight of 206.29 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(6-bicyclo[3.1.0]hexanyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 112593535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).