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

C13H24N4 — CID 55123160

IUPAC2-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-ethylpropan-1-amine
SMILESCCNCC(C)c1nncn1C1CCCCC1
InChIInChI=1S/C13H24N4/c1-3-14-9-11(2)13-16-15-10-17(13)12-7-5-4-6-8-12/h10-12,14H,3-9H2,1-2H3
InChIKeyNTDHZZVMZDHNSD-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.50
Rot. Bonds5

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

2-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-ethylpropan-1-amine (PubChem CID 55123160) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-ethylpropan-1-amine.

Molecular Properties

Compound Name2-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-ethylpropan-1-amine
PubChem CID55123160
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name2-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-ethylpropan-1-amine
SMILESCCNCC(C)c1nncn1C1CCCCC1
InChIInChI=1S/C13H24N4/c1-3-14-9-11(2)13-16-15-10-17(13)12-7-5-4-6-8-12/h10-12,14H,3-9H2,1-2H3
InChIKeyNTDHZZVMZDHNSD-UHFFFAOYSA-N
XLogP2.50
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-ethylpropan-1-amine?
The IUPAC name of 2-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-ethylpropan-1-amine (CID 55123160) is 2-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-ethylpropan-1-amine.
What is the SMILES notation for 2-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-ethylpropan-1-amine?
The canonical SMILES for 2-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-ethylpropan-1-amine is CCNCC(C)c1nncn1C1CCCCC1.
What is the InChIKey of 2-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-ethylpropan-1-amine?
The InChIKey is NTDHZZVMZDHNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-3-14-9-11(2)13-16-15-10-17(13)12-7-5-4-6-8-12/h10-12,14H,3-9H2,1-2H3.
What are the key properties of 2-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-ethylpropan-1-amine?
2-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-ethylpropan-1-amine has a molecular weight of 236.36 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-ethylpropan-1-amine is sourced from PubChem (CID 55123160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).