N-(2-chloroethyl)-5,6-diethyl-1,2,4-triazin-3-amine

C9H15ClN4 — CID 105363386

IUPACN-(2-chloroethyl)-5,6-diethyl-1,2,4-triazin-3-amine
SMILESCCc1nnc(NCCCl)nc1CC
InChIInChI=1S/C9H15ClN4/c1-3-7-8(4-2)13-14-9(12-7)11-6-5-10/h3-6H2,1-2H3,(H,11,12,14)
InChIKeyICAVBRGGKKUTJC-UHFFFAOYSA-N
MW214.70 g/mol
LogP1.65
Rot. Bonds5

About N-(2-chloroethyl)-5,6-diethyl-1,2,4-triazin-3-amine

N-(2-chloroethyl)-5,6-diethyl-1,2,4-triazin-3-amine (PubChem CID 105363386) has the molecular formula C9H15ClN4 and a molecular weight of 214.70 g/mol. Its IUPAC name is N-(2-chloroethyl)-5,6-diethyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-(2-chloroethyl)-5,6-diethyl-1,2,4-triazin-3-amine
PubChem CID105363386
Molecular FormulaC9H15ClN4
Molecular Weight214.70 g/mol
Exact Mass214.10
IUPAC NameN-(2-chloroethyl)-5,6-diethyl-1,2,4-triazin-3-amine
SMILESCCc1nnc(NCCCl)nc1CC
InChIInChI=1S/C9H15ClN4/c1-3-7-8(4-2)13-14-9(12-7)11-6-5-10/h3-6H2,1-2H3,(H,11,12,14)
InChIKeyICAVBRGGKKUTJC-UHFFFAOYSA-N
XLogP1.65
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 51.65
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

5,6-diethyl-N-(2-methylsulfanylethyl)-1,2,4-triazin-3-amine
CID 105362652
5,6-diethyl-N-octyl-1,2,4-triazin-3-amine
CID 105362763
N'-(5,6-diethyl-1,2,4-triazin-3-yl)butane-1,4-diamine
CID 105362304
N-but-3-ynyl-5,6-diethyl-1,2,4-triazin-3-amine
CID 105362658
1-N-(5,6-diethyl-1,2,4-triazin-3-yl)butane-1,3-diamine
CID 105362989
3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propanamide
CID 105362431
N-[2-(2-chloroethyl)pentyl]-5,6-diethyl-1,2,4-triazin-3-amine
CID 114145656
N-(5,6-diethyl-1,2,4-triazin-3-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 105362365
N-[2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]ethyl]methanesulfonamide
CID 105362429
5,6-diethyl-N-hex-5-ynyl-1,2,4-triazin-3-amine
CID 106544659
5,6-diethyl-N-(2-methylprop-2-enyl)-1,2,4-triazin-3-amine
CID 105362879
6-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]hexanoic acid
CID 105362032

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-5,6-diethyl-1,2,4-triazin-3-amine?
The IUPAC name of N-(2-chloroethyl)-5,6-diethyl-1,2,4-triazin-3-amine (CID 105363386) is N-(2-chloroethyl)-5,6-diethyl-1,2,4-triazin-3-amine.
What is the SMILES notation for N-(2-chloroethyl)-5,6-diethyl-1,2,4-triazin-3-amine?
The canonical SMILES for N-(2-chloroethyl)-5,6-diethyl-1,2,4-triazin-3-amine is CCc1nnc(NCCCl)nc1CC.
What is the InChIKey of N-(2-chloroethyl)-5,6-diethyl-1,2,4-triazin-3-amine?
The InChIKey is ICAVBRGGKKUTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN4/c1-3-7-8(4-2)13-14-9(12-7)11-6-5-10/h3-6H2,1-2H3,(H,11,12,14).
What are the key properties of N-(2-chloroethyl)-5,6-diethyl-1,2,4-triazin-3-amine?
N-(2-chloroethyl)-5,6-diethyl-1,2,4-triazin-3-amine has a molecular weight of 214.70 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-5,6-diethyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 105363386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).