1-(2-cyclohexylethyl)-1,2,4-triazol-3-amine

C10H18N4 — CID 130479120

IUPAC1-(2-cyclohexylethyl)-1,2,4-triazol-3-amine
SMILESNc1ncn(CCC2CCCCC2)n1
InChIInChI=1S/C10H18N4/c11-10-12-8-14(13-10)7-6-9-4-2-1-3-5-9/h8-9H,1-7H2,(H2,11,13)
InChIKeyNHMCQTRFEWLEHF-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.83
Rot. Bonds3

About 1-(2-cyclohexylethyl)-1,2,4-triazol-3-amine

1-(2-cyclohexylethyl)-1,2,4-triazol-3-amine (PubChem CID 130479120) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-(2-cyclohexylethyl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name1-(2-cyclohexylethyl)-1,2,4-triazol-3-amine
PubChem CID130479120
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name1-(2-cyclohexylethyl)-1,2,4-triazol-3-amine
SMILESNc1ncn(CCC2CCCCC2)n1
InChIInChI=1S/C10H18N4/c11-10-12-8-14(13-10)7-6-9-4-2-1-3-5-9/h8-9H,1-7H2,(H2,11,13)
InChIKeyNHMCQTRFEWLEHF-UHFFFAOYSA-N
XLogP1.83
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylethyl)-1,2,4-triazol-3-amine?
The IUPAC name of 1-(2-cyclohexylethyl)-1,2,4-triazol-3-amine (CID 130479120) is 1-(2-cyclohexylethyl)-1,2,4-triazol-3-amine.
What is the SMILES notation for 1-(2-cyclohexylethyl)-1,2,4-triazol-3-amine?
The canonical SMILES for 1-(2-cyclohexylethyl)-1,2,4-triazol-3-amine is Nc1ncn(CCC2CCCCC2)n1.
What is the InChIKey of 1-(2-cyclohexylethyl)-1,2,4-triazol-3-amine?
The InChIKey is NHMCQTRFEWLEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c11-10-12-8-14(13-10)7-6-9-4-2-1-3-5-9/h8-9H,1-7H2,(H2,11,13).
What are the key properties of 1-(2-cyclohexylethyl)-1,2,4-triazol-3-amine?
1-(2-cyclohexylethyl)-1,2,4-triazol-3-amine has a molecular weight of 194.28 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylethyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 130479120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).