1-cyclohexyl-5-N-ethyl-1,2,4-triazole-3,5-diamine;ethane

C12H25N5 — CID 91137734

IUPAC1-cyclohexyl-5-N-ethyl-1,2,4-triazole-3,5-diamine;ethane
SMILESCC.CCNc1nc(N)nn1C1CCCCC1
InChIInChI=1S/C10H19N5.C2H6/c1-2-12-10-13-9(11)14-15(10)8-6-4-3-5-7-8;1-2/h8H,2-7H2,1H3,(H3,11,12,13,14);1-2H3
InChIKeyCNPPMLJIIJOYHB-UHFFFAOYSA-N
MW239.37 g/mol
LogP2.82
Rot. Bonds3

About 1-cyclohexyl-5-N-ethyl-1,2,4-triazole-3,5-diamine;ethane

1-cyclohexyl-5-N-ethyl-1,2,4-triazole-3,5-diamine;ethane (PubChem CID 91137734) has the molecular formula C12H25N5 and a molecular weight of 239.37 g/mol. Its IUPAC name is 1-cyclohexyl-5-N-ethyl-1,2,4-triazole-3,5-diamine;ethane.

Molecular Properties

Compound Name1-cyclohexyl-5-N-ethyl-1,2,4-triazole-3,5-diamine;ethane
PubChem CID91137734
Molecular FormulaC12H25N5
Molecular Weight239.37 g/mol
Exact Mass239.21
IUPAC Name1-cyclohexyl-5-N-ethyl-1,2,4-triazole-3,5-diamine;ethane
SMILESCC.CCNc1nc(N)nn1C1CCCCC1
InChIInChI=1S/C10H19N5.C2H6/c1-2-12-10-13-9(11)14-15(10)8-6-4-3-5-7-8;1-2/h8H,2-7H2,1H3,(H3,11,12,13,14);1-2H3
InChIKeyCNPPMLJIIJOYHB-UHFFFAOYSA-N
XLogP2.82
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.37
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-cyclohexyl-5-N-ethyl-1,2,4-triazole-3,5-diamine;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-1-cycloheptyl-3-(ethylamino)pyrazole-4-carbonitrile
CID 102796104
1-cycloheptyl-3-N-ethyl-4-methylsulfonylpyrazole-3,5-diamine
CID 102826017
1-cyclohexyl-N-ethyl-4-methylimidazol-2-amine
CID 106554643
1-cyclohexyl-N-ethyl-5-methylpyrazol-3-amine
CID 174576132
1-cycloheptyl-5-methylpyrazol-3-amine
CID 62677533
2-cyclohexyl-5-methoxy-1,2,4-triazol-3-amine
CID 79872890
3-cyclohexyl-8-(ethylamino)-1,7-dimethylpurine-2,6-dione
CID 82465217
4-N-(cyclohexylmethyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 80783942
methyl 5-amino-1-cyclohexyl-3-[ethyl(methyl)amino]pyrazole-4-carboxylate
CID 102808760
6-(1-cyclohexylethyl)-2-N-ethyl-1,3,5-triazine-2,4-diamine
CID 141023306
1-(1-cyclohexyl-3,5-dimethylpyrazol-4-yl)-N-ethylethanamine
CID 62730101
4-N-(2-cyclohexylethyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 80791193

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-N-ethyl-1,2,4-triazole-3,5-diamine;ethane?
The IUPAC name of 1-cyclohexyl-5-N-ethyl-1,2,4-triazole-3,5-diamine;ethane (CID 91137734) is 1-cyclohexyl-5-N-ethyl-1,2,4-triazole-3,5-diamine;ethane.
What is the SMILES notation for 1-cyclohexyl-5-N-ethyl-1,2,4-triazole-3,5-diamine;ethane?
The canonical SMILES for 1-cyclohexyl-5-N-ethyl-1,2,4-triazole-3,5-diamine;ethane is CC.CCNc1nc(N)nn1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-5-N-ethyl-1,2,4-triazole-3,5-diamine;ethane?
The InChIKey is CNPPMLJIIJOYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5.C2H6/c1-2-12-10-13-9(11)14-15(10)8-6-4-3-5-7-8;1-2/h8H,2-7H2,1H3,(H3,11,12,13,14);1-2H3.
What are the key properties of 1-cyclohexyl-5-N-ethyl-1,2,4-triazole-3,5-diamine;ethane?
1-cyclohexyl-5-N-ethyl-1,2,4-triazole-3,5-diamine;ethane has a molecular weight of 239.37 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-N-ethyl-1,2,4-triazole-3,5-diamine;ethane is sourced from PubChem (CID 91137734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).