N-(2-chloroethyl)-N,3,6-trimethylpyrazin-2-amine

C9H14ClN3 — CID 63388888

IUPACN-(2-chloroethyl)-N,3,6-trimethylpyrazin-2-amine
SMILESCc1cnc(C)c(N(C)CCCl)n1
InChIInChI=1S/C9H14ClN3/c1-7-6-11-8(2)9(12-7)13(3)5-4-10/h6H,4-5H2,1-3H3
InChIKeyWUWUPJZLJBDHOP-UHFFFAOYSA-N
MW199.68 g/mol
LogP1.77
Rot. Bonds3

About N-(2-chloroethyl)-N,3,6-trimethylpyrazin-2-amine

N-(2-chloroethyl)-N,3,6-trimethylpyrazin-2-amine (PubChem CID 63388888) has the molecular formula C9H14ClN3 and a molecular weight of 199.68 g/mol. Its IUPAC name is N-(2-chloroethyl)-N,3,6-trimethylpyrazin-2-amine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N,3,6-trimethylpyrazin-2-amine
PubChem CID63388888
Molecular FormulaC9H14ClN3
Molecular Weight199.68 g/mol
Exact Mass199.09
IUPAC NameN-(2-chloroethyl)-N,3,6-trimethylpyrazin-2-amine
SMILESCc1cnc(C)c(N(C)CCCl)n1
InChIInChI=1S/C9H14ClN3/c1-7-6-11-8(2)9(12-7)13(3)5-4-10/h6H,4-5H2,1-3H3
InChIKeyWUWUPJZLJBDHOP-UHFFFAOYSA-N
XLogP1.77
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N,3,6-trimethylpyrazin-2-amine?
The IUPAC name of N-(2-chloroethyl)-N,3,6-trimethylpyrazin-2-amine (CID 63388888) is N-(2-chloroethyl)-N,3,6-trimethylpyrazin-2-amine.
What is the SMILES notation for N-(2-chloroethyl)-N,3,6-trimethylpyrazin-2-amine?
The canonical SMILES for N-(2-chloroethyl)-N,3,6-trimethylpyrazin-2-amine is Cc1cnc(C)c(N(C)CCCl)n1.
What is the InChIKey of N-(2-chloroethyl)-N,3,6-trimethylpyrazin-2-amine?
The InChIKey is WUWUPJZLJBDHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3/c1-7-6-11-8(2)9(12-7)13(3)5-4-10/h6H,4-5H2,1-3H3.
What are the key properties of N-(2-chloroethyl)-N,3,6-trimethylpyrazin-2-amine?
N-(2-chloroethyl)-N,3,6-trimethylpyrazin-2-amine has a molecular weight of 199.68 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N,3,6-trimethylpyrazin-2-amine is sourced from PubChem (CID 63388888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).