1-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-N-ethylpropan-2-amine

C13H24N4 — CID 55122612

IUPAC1-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-N-ethylpropan-2-amine
SMILESCCNC(C)Cc1nc(C2CCCCC2)n[nH]1
InChIInChI=1S/C13H24N4/c1-3-14-10(2)9-12-15-13(17-16-12)11-7-5-4-6-8-11/h10-11,14H,3-9H2,1-2H3,(H,15,16,17)
InChIKeyIHGRLTCGQMXCOL-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.39
Rot. Bonds5

About 1-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-N-ethylpropan-2-amine

1-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-N-ethylpropan-2-amine (PubChem CID 55122612) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-N-ethylpropan-2-amine.

Molecular Properties

Compound Name1-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-N-ethylpropan-2-amine
PubChem CID55122612
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name1-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-N-ethylpropan-2-amine
SMILESCCNC(C)Cc1nc(C2CCCCC2)n[nH]1
InChIInChI=1S/C13H24N4/c1-3-14-10(2)9-12-15-13(17-16-12)11-7-5-4-6-8-11/h10-11,14H,3-9H2,1-2H3,(H,15,16,17)
InChIKeyIHGRLTCGQMXCOL-UHFFFAOYSA-N
XLogP2.39
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-N-ethylpropan-2-amine?
The IUPAC name of 1-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-N-ethylpropan-2-amine (CID 55122612) is 1-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-N-ethylpropan-2-amine.
What is the SMILES notation for 1-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-N-ethylpropan-2-amine?
The canonical SMILES for 1-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-N-ethylpropan-2-amine is CCNC(C)Cc1nc(C2CCCCC2)n[nH]1.
What is the InChIKey of 1-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-N-ethylpropan-2-amine?
The InChIKey is IHGRLTCGQMXCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-3-14-10(2)9-12-15-13(17-16-12)11-7-5-4-6-8-11/h10-11,14H,3-9H2,1-2H3,(H,15,16,17).
What are the key properties of 1-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-N-ethylpropan-2-amine?
1-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-N-ethylpropan-2-amine has a molecular weight of 236.36 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-N-ethylpropan-2-amine is sourced from PubChem (CID 55122612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).