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

C11H20N4 — CID 58883290

IUPACN-(cyclohexylmethyl)-1-ethyl-1,2,4-triazol-3-amine
SMILESCCn1cnc(NCC2CCCCC2)n1
InChIInChI=1S/C11H20N4/c1-2-15-9-13-11(14-15)12-8-10-6-4-3-5-7-10/h9-10H,2-8H2,1H3,(H,12,14)
InChIKeyOCCSJBNCEPVHHH-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.29
Rot. Bonds4

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

N-(cyclohexylmethyl)-1-ethyl-1,2,4-triazol-3-amine (PubChem CID 58883290) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-1-ethyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-1-ethyl-1,2,4-triazol-3-amine
PubChem CID58883290
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC NameN-(cyclohexylmethyl)-1-ethyl-1,2,4-triazol-3-amine
SMILESCCn1cnc(NCC2CCCCC2)n1
InChIInChI=1S/C11H20N4/c1-2-15-9-13-11(14-15)12-8-10-6-4-3-5-7-10/h9-10H,2-8H2,1H3,(H,12,14)
InChIKeyOCCSJBNCEPVHHH-UHFFFAOYSA-N
XLogP2.29
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.29
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?
The IUPAC name of N-(cyclohexylmethyl)-1-ethyl-1,2,4-triazol-3-amine (CID 58883290) is N-(cyclohexylmethyl)-1-ethyl-1,2,4-triazol-3-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-1-ethyl-1,2,4-triazol-3-amine?
The canonical SMILES for N-(cyclohexylmethyl)-1-ethyl-1,2,4-triazol-3-amine is CCn1cnc(NCC2CCCCC2)n1.
What is the InChIKey of N-(cyclohexylmethyl)-1-ethyl-1,2,4-triazol-3-amine?
The InChIKey is OCCSJBNCEPVHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-2-15-9-13-11(14-15)12-8-10-6-4-3-5-7-10/h9-10H,2-8H2,1H3,(H,12,14).
What are the key properties of N-(cyclohexylmethyl)-1-ethyl-1,2,4-triazol-3-amine?
N-(cyclohexylmethyl)-1-ethyl-1,2,4-triazol-3-amine has a molecular weight of 208.31 g/mol, XLogP of 2.29, 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 is sourced from PubChem (CID 58883290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).