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

C13H24N4 — CID 55122709

IUPAC1-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-ethylpropan-2-amine
SMILESCCNC(C)Cc1nncn1C1CCCCC1
InChIInChI=1S/C13H24N4/c1-3-14-11(2)9-13-16-15-10-17(13)12-7-5-4-6-8-12/h10-12,14H,3-9H2,1-2H3
InChIKeyNFPGYJBTHVJFLD-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.32
Rot. Bonds5

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

1-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-ethylpropan-2-amine (PubChem CID 55122709) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-ethylpropan-2-amine.

Molecular Properties

Compound Name1-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-ethylpropan-2-amine
PubChem CID55122709
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name1-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-ethylpropan-2-amine
SMILESCCNC(C)Cc1nncn1C1CCCCC1
InChIInChI=1S/C13H24N4/c1-3-14-11(2)9-13-16-15-10-17(13)12-7-5-4-6-8-12/h10-12,14H,3-9H2,1-2H3
InChIKeyNFPGYJBTHVJFLD-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-ethylpropan-2-amine?
The IUPAC name of 1-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-ethylpropan-2-amine (CID 55122709) is 1-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-ethylpropan-2-amine.
What is the SMILES notation for 1-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-ethylpropan-2-amine?
The canonical SMILES for 1-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-ethylpropan-2-amine is CCNC(C)Cc1nncn1C1CCCCC1.
What is the InChIKey of 1-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-ethylpropan-2-amine?
The InChIKey is NFPGYJBTHVJFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-3-14-11(2)9-13-16-15-10-17(13)12-7-5-4-6-8-12/h10-12,14H,3-9H2,1-2H3.
What are the key properties of 1-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-ethylpropan-2-amine?
1-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-ethylpropan-2-amine has a molecular weight of 236.36 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-ethylpropan-2-amine is sourced from PubChem (CID 55122709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).