[1-(1-methoxy-4-methylcyclohexyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine

C13H25N5O — CID 105277070

IUPAC[1-(1-methoxy-4-methylcyclohexyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine
SMILESCOC1(C(Cc2ncnn2C)NN)CCC(C)CC1
InChIInChI=1S/C13H25N5O/c1-10-4-6-13(19-3,7-5-10)11(17-14)8-12-15-9-16-18(12)2/h9-11,17H,4-8,14H2,1-3H3
InChIKeySLNCWDGMIZKEMF-UHFFFAOYSA-N
MW267.38 g/mol
LogP0.78
Rot. Bonds5

About [1-(1-methoxy-4-methylcyclohexyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine

[1-(1-methoxy-4-methylcyclohexyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine (PubChem CID 105277070) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is [1-(1-methoxy-4-methylcyclohexyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(1-methoxy-4-methylcyclohexyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine
PubChem CID105277070
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC Name[1-(1-methoxy-4-methylcyclohexyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine
SMILESCOC1(C(Cc2ncnn2C)NN)CCC(C)CC1
InChIInChI=1S/C13H25N5O/c1-10-4-6-13(19-3,7-5-10)11(17-14)8-12-15-9-16-18(12)2/h9-11,17H,4-8,14H2,1-3H3
InChIKeySLNCWDGMIZKEMF-UHFFFAOYSA-N
XLogP0.78
TPSA77.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(1-methoxy-4-methylcyclohexyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine?
The IUPAC name of [1-(1-methoxy-4-methylcyclohexyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine (CID 105277070) is [1-(1-methoxy-4-methylcyclohexyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(1-methoxy-4-methylcyclohexyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine?
The canonical SMILES for [1-(1-methoxy-4-methylcyclohexyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine is COC1(C(Cc2ncnn2C)NN)CCC(C)CC1.
What is the InChIKey of [1-(1-methoxy-4-methylcyclohexyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine?
The InChIKey is SLNCWDGMIZKEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O/c1-10-4-6-13(19-3,7-5-10)11(17-14)8-12-15-9-16-18(12)2/h9-11,17H,4-8,14H2,1-3H3.
What are the key properties of [1-(1-methoxy-4-methylcyclohexyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine?
[1-(1-methoxy-4-methylcyclohexyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine has a molecular weight of 267.38 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-methoxy-4-methylcyclohexyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine is sourced from PubChem (CID 105277070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).