N-(cyclohexylmethyl)-1-ethyl-1,2,4-triazol-3-amine;ethane

C13H26N4 — CID 91491406

IUPACN-(cyclohexylmethyl)-1-ethyl-1,2,4-triazol-3-amine;ethane
SMILESCC.CCn1cnc(NCC2CCCCC2)n1
InChIInChI=1S/C11H20N4.C2H6/c1-2-15-9-13-11(14-15)12-8-10-6-4-3-5-7-10;1-2/h9-10H,2-8H2,1H3,(H,12,14);1-2H3
InChIKeyAFQMJODEEWATFO-UHFFFAOYSA-N
MW238.38 g/mol
LogP3.32
Rot. Bonds4

About N-(cyclohexylmethyl)-1-ethyl-1,2,4-triazol-3-amine;ethane

N-(cyclohexylmethyl)-1-ethyl-1,2,4-triazol-3-amine;ethane (PubChem CID 91491406) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-1-ethyl-1,2,4-triazol-3-amine;ethane.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-1-ethyl-1,2,4-triazol-3-amine;ethane
PubChem CID91491406
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC NameN-(cyclohexylmethyl)-1-ethyl-1,2,4-triazol-3-amine;ethane
SMILESCC.CCn1cnc(NCC2CCCCC2)n1
InChIInChI=1S/C11H20N4.C2H6/c1-2-15-9-13-11(14-15)12-8-10-6-4-3-5-7-10;1-2/h9-10H,2-8H2,1H3,(H,12,14);1-2H3
InChIKeyAFQMJODEEWATFO-UHFFFAOYSA-N
XLogP3.32
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-1-ethyl-1,2,4-triazol-3-amine;ethane?
The IUPAC name of N-(cyclohexylmethyl)-1-ethyl-1,2,4-triazol-3-amine;ethane (CID 91491406) is N-(cyclohexylmethyl)-1-ethyl-1,2,4-triazol-3-amine;ethane.
What is the SMILES notation for N-(cyclohexylmethyl)-1-ethyl-1,2,4-triazol-3-amine;ethane?
The canonical SMILES for N-(cyclohexylmethyl)-1-ethyl-1,2,4-triazol-3-amine;ethane is CC.CCn1cnc(NCC2CCCCC2)n1.
What is the InChIKey of N-(cyclohexylmethyl)-1-ethyl-1,2,4-triazol-3-amine;ethane?
The InChIKey is AFQMJODEEWATFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4.C2H6/c1-2-15-9-13-11(14-15)12-8-10-6-4-3-5-7-10;1-2/h9-10H,2-8H2,1H3,(H,12,14);1-2H3.
What are the key properties of N-(cyclohexylmethyl)-1-ethyl-1,2,4-triazol-3-amine;ethane?
N-(cyclohexylmethyl)-1-ethyl-1,2,4-triazol-3-amine;ethane has a molecular weight of 238.38 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-1-ethyl-1,2,4-triazol-3-amine;ethane is sourced from PubChem (CID 91491406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).