cyclohexyl-(5-ethyl-1H-1,2,4-triazol-3-yl)methanamine

C11H20N4 — CID 61278340

IUPACcyclohexyl-(5-ethyl-1H-1,2,4-triazol-3-yl)methanamine
SMILESCCc1nc(C(N)C2CCCCC2)n[nH]1
InChIInChI=1S/C11H20N4/c1-2-9-13-11(15-14-9)10(12)8-6-4-3-5-7-8/h8,10H,2-7,12H2,1H3,(H,13,14,15)
InChIKeyBDQHGNJRWRPFES-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.95
Rot. Bonds3

About cyclohexyl-(5-ethyl-1H-1,2,4-triazol-3-yl)methanamine

cyclohexyl-(5-ethyl-1H-1,2,4-triazol-3-yl)methanamine (PubChem CID 61278340) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is cyclohexyl-(5-ethyl-1H-1,2,4-triazol-3-yl)methanamine.

Molecular Properties

Compound Namecyclohexyl-(5-ethyl-1H-1,2,4-triazol-3-yl)methanamine
PubChem CID61278340
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Namecyclohexyl-(5-ethyl-1H-1,2,4-triazol-3-yl)methanamine
SMILESCCc1nc(C(N)C2CCCCC2)n[nH]1
InChIInChI=1S/C11H20N4/c1-2-9-13-11(15-14-9)10(12)8-6-4-3-5-7-8/h8,10H,2-7,12H2,1H3,(H,13,14,15)
InChIKeyBDQHGNJRWRPFES-UHFFFAOYSA-N
XLogP1.95
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(5-ethyl-1H-1,2,4-triazol-3-yl)methanamine?
The IUPAC name of cyclohexyl-(5-ethyl-1H-1,2,4-triazol-3-yl)methanamine (CID 61278340) is cyclohexyl-(5-ethyl-1H-1,2,4-triazol-3-yl)methanamine.
What is the SMILES notation for cyclohexyl-(5-ethyl-1H-1,2,4-triazol-3-yl)methanamine?
The canonical SMILES for cyclohexyl-(5-ethyl-1H-1,2,4-triazol-3-yl)methanamine is CCc1nc(C(N)C2CCCCC2)n[nH]1.
What is the InChIKey of cyclohexyl-(5-ethyl-1H-1,2,4-triazol-3-yl)methanamine?
The InChIKey is BDQHGNJRWRPFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-2-9-13-11(15-14-9)10(12)8-6-4-3-5-7-8/h8,10H,2-7,12H2,1H3,(H,13,14,15).
What are the key properties of cyclohexyl-(5-ethyl-1H-1,2,4-triazol-3-yl)methanamine?
cyclohexyl-(5-ethyl-1H-1,2,4-triazol-3-yl)methanamine has a molecular weight of 208.31 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(5-ethyl-1H-1,2,4-triazol-3-yl)methanamine is sourced from PubChem (CID 61278340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).