3-N-[(2,6-dichlorophenyl)methyl]-5-(1-methylpyrazol-4-yl)pyrazine-2,3-diamine

C15H14Cl2N6 — CID 46880881

IUPAC3-N-[(2,6-dichlorophenyl)methyl]-5-(1-methylpyrazol-4-yl)pyrazine-2,3-diamine
SMILESCn1cc(-c2cnc(N)c(NCc3c(Cl)cccc3Cl)n2)cn1
InChIInChI=1S/C15H14Cl2N6/c1-23-8-9(5-21-23)13-7-19-14(18)15(22-13)20-6-10-11(16)3-2-4-12(10)17/h2-5,7-8H,6H2,1H3,(H2,18,19)(H,20,22)
InChIKeyZZTZDQWPNDXJLO-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.38
Rot. Bonds4

About 3-N-[(2,6-dichlorophenyl)methyl]-5-(1-methylpyrazol-4-yl)pyrazine-2,3-diamine

3-N-[(2,6-dichlorophenyl)methyl]-5-(1-methylpyrazol-4-yl)pyrazine-2,3-diamine (PubChem CID 46880881) has the molecular formula C15H14Cl2N6 and a molecular weight of 349.23 g/mol. Its IUPAC name is 3-N-[(2,6-dichlorophenyl)methyl]-5-(1-methylpyrazol-4-yl)pyrazine-2,3-diamine.

Molecular Properties

Compound Name3-N-[(2,6-dichlorophenyl)methyl]-5-(1-methylpyrazol-4-yl)pyrazine-2,3-diamine
PubChem CID46880881
Molecular FormulaC15H14Cl2N6
Molecular Weight349.23 g/mol
Exact Mass348.07
IUPAC Name3-N-[(2,6-dichlorophenyl)methyl]-5-(1-methylpyrazol-4-yl)pyrazine-2,3-diamine
SMILESCn1cc(-c2cnc(N)c(NCc3c(Cl)cccc3Cl)n2)cn1
InChIInChI=1S/C15H14Cl2N6/c1-23-8-9(5-21-23)13-7-19-14(18)15(22-13)20-6-10-11(16)3-2-4-12(10)17/h2-5,7-8H,6H2,1H3,(H2,18,19)(H,20,22)
InChIKeyZZTZDQWPNDXJLO-UHFFFAOYSA-N
XLogP3.38
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-N-[(2,6-dichlorophenyl)methyl]-5-(1-methylpyrazol-4-yl)pyrazine-2,3-diamine?
The IUPAC name of 3-N-[(2,6-dichlorophenyl)methyl]-5-(1-methylpyrazol-4-yl)pyrazine-2,3-diamine (CID 46880881) is 3-N-[(2,6-dichlorophenyl)methyl]-5-(1-methylpyrazol-4-yl)pyrazine-2,3-diamine.
What is the SMILES notation for 3-N-[(2,6-dichlorophenyl)methyl]-5-(1-methylpyrazol-4-yl)pyrazine-2,3-diamine?
The canonical SMILES for 3-N-[(2,6-dichlorophenyl)methyl]-5-(1-methylpyrazol-4-yl)pyrazine-2,3-diamine is Cn1cc(-c2cnc(N)c(NCc3c(Cl)cccc3Cl)n2)cn1.
What is the InChIKey of 3-N-[(2,6-dichlorophenyl)methyl]-5-(1-methylpyrazol-4-yl)pyrazine-2,3-diamine?
The InChIKey is ZZTZDQWPNDXJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N6/c1-23-8-9(5-21-23)13-7-19-14(18)15(22-13)20-6-10-11(16)3-2-4-12(10)17/h2-5,7-8H,6H2,1H3,(H2,18,19)(H,20,22).
What are the key properties of 3-N-[(2,6-dichlorophenyl)methyl]-5-(1-methylpyrazol-4-yl)pyrazine-2,3-diamine?
3-N-[(2,6-dichlorophenyl)methyl]-5-(1-methylpyrazol-4-yl)pyrazine-2,3-diamine has a molecular weight of 349.23 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(2,6-dichlorophenyl)methyl]-5-(1-methylpyrazol-4-yl)pyrazine-2,3-diamine is sourced from PubChem (CID 46880881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).