6-chloro-N-[2-(2,4-dichlorophenyl)ethyl]pyrazin-2-amine

C12H10Cl3N3 — CID 47370335

IUPAC6-chloro-N-[2-(2,4-dichlorophenyl)ethyl]pyrazin-2-amine
SMILESClc1ccc(CCNc2cncc(Cl)n2)c(Cl)c1
InChIInChI=1S/C12H10Cl3N3/c13-9-2-1-8(10(14)5-9)3-4-17-12-7-16-6-11(15)18-12/h1-2,5-7H,3-4H2,(H,17,18)
InChIKeyJKSCQZWDZRBZIT-UHFFFAOYSA-N
MW302.59 g/mol
LogP4.09
Rot. Bonds4

About 6-chloro-N-[2-(2,4-dichlorophenyl)ethyl]pyrazin-2-amine

6-chloro-N-[2-(2,4-dichlorophenyl)ethyl]pyrazin-2-amine (PubChem CID 47370335) has the molecular formula C12H10Cl3N3 and a molecular weight of 302.59 g/mol. Its IUPAC name is 6-chloro-N-[2-(2,4-dichlorophenyl)ethyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[2-(2,4-dichlorophenyl)ethyl]pyrazin-2-amine
PubChem CID47370335
Molecular FormulaC12H10Cl3N3
Molecular Weight302.59 g/mol
Exact Mass300.99
IUPAC Name6-chloro-N-[2-(2,4-dichlorophenyl)ethyl]pyrazin-2-amine
SMILESClc1ccc(CCNc2cncc(Cl)n2)c(Cl)c1
InChIInChI=1S/C12H10Cl3N3/c13-9-2-1-8(10(14)5-9)3-4-17-12-7-16-6-11(15)18-12/h1-2,5-7H,3-4H2,(H,17,18)
InChIKeyJKSCQZWDZRBZIT-UHFFFAOYSA-N
XLogP4.09
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.59
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-[2-(2-methylphenyl)ethyl]pyrazin-2-amine
CID 47151369
3-N-(4-chlorophenyl)-5-N-[2-(2,4-dichlorophenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112961209
3-N-tert-butyl-5-N-[2-(2,4-dichlorophenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112959021
6-N-[2-(2,4-dichlorophenyl)ethyl]-2-N-methylpyridine-2,6-diamine
CID 80785532
4-chloro-6-[2-(2,4-dichlorophenyl)ethylamino]pyrimidine-2-carbaldehyde
CID 86615710
N-[2-(2,4-dichlorophenyl)ethyl]-2-methylpyrimidin-4-amine
CID 62786205
5-N-[2-(2,4-dichlorophenyl)ethyl]-3-N-prop-2-enyl-1,2,4-triazine-3,5-diamine
CID 112939761
5-N-[2-(2,4-dichlorophenyl)ethyl]-3-N-(4-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112961212
4-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidine-4,6-diamine
CID 78929904
4-N-[2-(2,4-dichlorophenyl)ethyl]-2-N-(3-methoxypropyl)pyrimidine-2,4-diamine
CID 112886247
N-[2-(2,4-dichlorophenyl)ethyl]-6-methylpyrimidin-4-amine
CID 61224338
6-chloro-N-(2-quinolin-8-ylethyl)pyrazin-2-amine
CID 47151476

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(2,4-dichlorophenyl)ethyl]pyrazin-2-amine?
The IUPAC name of 6-chloro-N-[2-(2,4-dichlorophenyl)ethyl]pyrazin-2-amine (CID 47370335) is 6-chloro-N-[2-(2,4-dichlorophenyl)ethyl]pyrazin-2-amine.
What is the SMILES notation for 6-chloro-N-[2-(2,4-dichlorophenyl)ethyl]pyrazin-2-amine?
The canonical SMILES for 6-chloro-N-[2-(2,4-dichlorophenyl)ethyl]pyrazin-2-amine is Clc1ccc(CCNc2cncc(Cl)n2)c(Cl)c1.
What is the InChIKey of 6-chloro-N-[2-(2,4-dichlorophenyl)ethyl]pyrazin-2-amine?
The InChIKey is JKSCQZWDZRBZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl3N3/c13-9-2-1-8(10(14)5-9)3-4-17-12-7-16-6-11(15)18-12/h1-2,5-7H,3-4H2,(H,17,18).
What are the key properties of 6-chloro-N-[2-(2,4-dichlorophenyl)ethyl]pyrazin-2-amine?
6-chloro-N-[2-(2,4-dichlorophenyl)ethyl]pyrazin-2-amine has a molecular weight of 302.59 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(2,4-dichlorophenyl)ethyl]pyrazin-2-amine is sourced from PubChem (CID 47370335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).