N-[2-(chloromethyl)cyclohexyl]-5,6-diethyl-1,2,4-triazin-3-amine

C14H23ClN4 — CID 106365704

IUPACN-[2-(chloromethyl)cyclohexyl]-5,6-diethyl-1,2,4-triazin-3-amine
SMILESCCc1nnc(NC2CCCCC2CCl)nc1CC
InChIInChI=1S/C14H23ClN4/c1-3-11-12(4-2)18-19-14(16-11)17-13-8-6-5-7-10(13)9-15/h10,13H,3-9H2,1-2H3,(H,16,17,19)
InChIKeySCUVROQIRRYQOK-UHFFFAOYSA-N
MW282.82 g/mol
LogP3.21
Rot. Bonds5

About N-[2-(chloromethyl)cyclohexyl]-5,6-diethyl-1,2,4-triazin-3-amine

N-[2-(chloromethyl)cyclohexyl]-5,6-diethyl-1,2,4-triazin-3-amine (PubChem CID 106365704) has the molecular formula C14H23ClN4 and a molecular weight of 282.82 g/mol. Its IUPAC name is N-[2-(chloromethyl)cyclohexyl]-5,6-diethyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-[2-(chloromethyl)cyclohexyl]-5,6-diethyl-1,2,4-triazin-3-amine
PubChem CID106365704
Molecular FormulaC14H23ClN4
Molecular Weight282.82 g/mol
Exact Mass282.16
IUPAC NameN-[2-(chloromethyl)cyclohexyl]-5,6-diethyl-1,2,4-triazin-3-amine
SMILESCCc1nnc(NC2CCCCC2CCl)nc1CC
InChIInChI=1S/C14H23ClN4/c1-3-11-12(4-2)18-19-14(16-11)17-13-8-6-5-7-10(13)9-15/h10,13H,3-9H2,1-2H3,(H,16,17,19)
InChIKeySCUVROQIRRYQOK-UHFFFAOYSA-N
XLogP3.21
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.82
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]cycloheptane-1-carboxylic acid
CID 105362156
5,6-diethyl-N-(3-ethyl-2-methylcyclopentyl)-1,2,4-triazin-3-amine
CID 105362685
N-[2-(chloromethyl)cyclohexyl]-5-methylpyrimidin-2-amine
CID 106365718
N-(2,2-dimethylcyclohexyl)-5,6-diethyl-1,2,4-triazin-3-amine
CID 105362732
N-[2-(chloromethyl)cyclopentyl]-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 114179316
N-[2-(chloromethyl)cyclopentyl]-5-methylpyrimidin-2-amine
CID 106365543
N-[[2-(aminomethyl)cyclopentyl]methyl]-5,6-diethyl-1,2,4-triazin-3-amine
CID 105363502
5,6-diethyl-N-[(2R,3S)-2-pyridin-3-yloxolan-3-yl]-1,2,4-triazin-3-amine
CID 167800853
N-(2-ethylcyclohexyl)-1,2,4-benzotriazin-3-amine
CID 103204177
N-[2-(chloromethyl)cyclohexyl]-3-ethyl-6-methylpyridazine-4-carboxamide
CID 106366828
N-[2-(chloromethyl)cyclohexyl]-4-propan-2-yloxypyrimidin-2-amine
CID 106365613
N-[2-(chloromethyl)cyclopentyl]-5,6-dimethylpyrazin-2-amine
CID 106365406

Frequently Asked Questions

What is the IUPAC name of N-[2-(chloromethyl)cyclohexyl]-5,6-diethyl-1,2,4-triazin-3-amine?
The IUPAC name of N-[2-(chloromethyl)cyclohexyl]-5,6-diethyl-1,2,4-triazin-3-amine (CID 106365704) is N-[2-(chloromethyl)cyclohexyl]-5,6-diethyl-1,2,4-triazin-3-amine.
What is the SMILES notation for N-[2-(chloromethyl)cyclohexyl]-5,6-diethyl-1,2,4-triazin-3-amine?
The canonical SMILES for N-[2-(chloromethyl)cyclohexyl]-5,6-diethyl-1,2,4-triazin-3-amine is CCc1nnc(NC2CCCCC2CCl)nc1CC.
What is the InChIKey of N-[2-(chloromethyl)cyclohexyl]-5,6-diethyl-1,2,4-triazin-3-amine?
The InChIKey is SCUVROQIRRYQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN4/c1-3-11-12(4-2)18-19-14(16-11)17-13-8-6-5-7-10(13)9-15/h10,13H,3-9H2,1-2H3,(H,16,17,19).
What are the key properties of N-[2-(chloromethyl)cyclohexyl]-5,6-diethyl-1,2,4-triazin-3-amine?
N-[2-(chloromethyl)cyclohexyl]-5,6-diethyl-1,2,4-triazin-3-amine has a molecular weight of 282.82 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(chloromethyl)cyclohexyl]-5,6-diethyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 106365704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).