1-[1-hydrazinyl-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-N,N,4-trimethylcyclohexan-1-amine

C14H28N6 — CID 105243444

IUPAC1-[1-hydrazinyl-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-N,N,4-trimethylcyclohexan-1-amine
SMILESCC1CCC(C(Cc2ncnn2C)NN)(N(C)C)CC1
InChIInChI=1S/C14H28N6/c1-11-5-7-14(8-6-11,19(2)3)12(18-15)9-13-16-10-17-20(13)4/h10-12,18H,5-9,15H2,1-4H3
InChIKeyMPYVKSYENFMZPI-UHFFFAOYSA-N
MW280.42 g/mol
LogP0.70
Rot. Bonds5

About 1-[1-hydrazinyl-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-N,N,4-trimethylcyclohexan-1-amine

1-[1-hydrazinyl-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-N,N,4-trimethylcyclohexan-1-amine (PubChem CID 105243444) has the molecular formula C14H28N6 and a molecular weight of 280.42 g/mol. Its IUPAC name is 1-[1-hydrazinyl-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-N,N,4-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[1-hydrazinyl-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-N,N,4-trimethylcyclohexan-1-amine
PubChem CID105243444
Molecular FormulaC14H28N6
Molecular Weight280.42 g/mol
Exact Mass280.24
IUPAC Name1-[1-hydrazinyl-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-N,N,4-trimethylcyclohexan-1-amine
SMILESCC1CCC(C(Cc2ncnn2C)NN)(N(C)C)CC1
InChIInChI=1S/C14H28N6/c1-11-5-7-14(8-6-11,19(2)3)12(18-15)9-13-16-10-17-20(13)4/h10-12,18H,5-9,15H2,1-4H3
InChIKeyMPYVKSYENFMZPI-UHFFFAOYSA-N
XLogP0.70
TPSA72.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 50.70
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'}

Analyze 1-[1-hydrazinyl-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-N,N,4-trimethylcyclohexan-1-amine 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

1-[1-amino-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-N,N,4-trimethylcyclohexan-1-amine
CID 79074801
[1-(1-methoxy-4-methylcyclohexyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105277070
N,N-dimethyl-1-[1-(methylamino)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine
CID 79066371
1-[1-hydrazinyl-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]-N,N-dimethylcyclohexan-1-amine
CID 105243326
1-[1-hydrazinyl-3-(1-methylpyrazol-4-yl)propyl]-N,N,4-trimethylcyclohexan-1-amine
CID 103026902
[2-(2-methyl-1,2,4-triazol-3-yl)-1-(1-piperidin-1-ylcyclopentyl)ethyl]hydrazine
CID 105242962
1-(2-cyclopentyl-1-hydrazinylethyl)-N,N,4-trimethylcyclohexan-1-amine
CID 105243419
1-[1-amino-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-N,N-dimethylcycloheptan-1-amine
CID 79080658
[1-(1-methoxy-4-methylcyclohexyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105277166
[1-(1-ethoxy-4-methylcyclohexyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105277349
[1-(2-methylcyclopentyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 107194210
1-(1-hydrazinylhexyl)-N,N,4-trimethylcyclohexan-1-amine
CID 105243536

Frequently Asked Questions

What is the IUPAC name of 1-[1-hydrazinyl-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-N,N,4-trimethylcyclohexan-1-amine?
The IUPAC name of 1-[1-hydrazinyl-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-N,N,4-trimethylcyclohexan-1-amine (CID 105243444) is 1-[1-hydrazinyl-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-N,N,4-trimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[1-hydrazinyl-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-N,N,4-trimethylcyclohexan-1-amine?
The canonical SMILES for 1-[1-hydrazinyl-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-N,N,4-trimethylcyclohexan-1-amine is CC1CCC(C(Cc2ncnn2C)NN)(N(C)C)CC1.
What is the InChIKey of 1-[1-hydrazinyl-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-N,N,4-trimethylcyclohexan-1-amine?
The InChIKey is MPYVKSYENFMZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N6/c1-11-5-7-14(8-6-11,19(2)3)12(18-15)9-13-16-10-17-20(13)4/h10-12,18H,5-9,15H2,1-4H3.
What are the key properties of 1-[1-hydrazinyl-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-N,N,4-trimethylcyclohexan-1-amine?
1-[1-hydrazinyl-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-N,N,4-trimethylcyclohexan-1-amine has a molecular weight of 280.42 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-hydrazinyl-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-N,N,4-trimethylcyclohexan-1-amine is sourced from PubChem (CID 105243444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).