1-cyclohexyl-N-ethyl-1,2,4-triazol-3-amine;ethane

C12H24N4 — CID 91311929

IUPAC1-cyclohexyl-N-ethyl-1,2,4-triazol-3-amine;ethane
SMILESCC.CCNc1ncn(C2CCCCC2)n1
InChIInChI=1S/C10H18N4.C2H6/c1-2-11-10-12-8-14(13-10)9-6-4-3-5-7-9;1-2/h8-9H,2-7H2,1H3,(H,11,13);1-2H3
InChIKeyNTELNRNHOIOZHB-UHFFFAOYSA-N
MW224.35 g/mol
LogP3.24
Rot. Bonds3

About 1-cyclohexyl-N-ethyl-1,2,4-triazol-3-amine;ethane

1-cyclohexyl-N-ethyl-1,2,4-triazol-3-amine;ethane (PubChem CID 91311929) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-cyclohexyl-N-ethyl-1,2,4-triazol-3-amine;ethane.

Molecular Properties

Compound Name1-cyclohexyl-N-ethyl-1,2,4-triazol-3-amine;ethane
PubChem CID91311929
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC Name1-cyclohexyl-N-ethyl-1,2,4-triazol-3-amine;ethane
SMILESCC.CCNc1ncn(C2CCCCC2)n1
InChIInChI=1S/C10H18N4.C2H6/c1-2-11-10-12-8-14(13-10)9-6-4-3-5-7-9;1-2/h8-9H,2-7H2,1H3,(H,11,13);1-2H3
InChIKeyNTELNRNHOIOZHB-UHFFFAOYSA-N
XLogP3.24
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-ethyl-1,2,4-triazol-3-amine;ethane?
The IUPAC name of 1-cyclohexyl-N-ethyl-1,2,4-triazol-3-amine;ethane (CID 91311929) is 1-cyclohexyl-N-ethyl-1,2,4-triazol-3-amine;ethane.
What is the SMILES notation for 1-cyclohexyl-N-ethyl-1,2,4-triazol-3-amine;ethane?
The canonical SMILES for 1-cyclohexyl-N-ethyl-1,2,4-triazol-3-amine;ethane is CC.CCNc1ncn(C2CCCCC2)n1.
What is the InChIKey of 1-cyclohexyl-N-ethyl-1,2,4-triazol-3-amine;ethane?
The InChIKey is NTELNRNHOIOZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4.C2H6/c1-2-11-10-12-8-14(13-10)9-6-4-3-5-7-9;1-2/h8-9H,2-7H2,1H3,(H,11,13);1-2H3.
What are the key properties of 1-cyclohexyl-N-ethyl-1,2,4-triazol-3-amine;ethane?
1-cyclohexyl-N-ethyl-1,2,4-triazol-3-amine;ethane has a molecular weight of 224.35 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-ethyl-1,2,4-triazol-3-amine;ethane is sourced from PubChem (CID 91311929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).