3-[(E)-2-amino-1-chloroethenyl]-6-methylpyrazin-2-amine;5,6-dimethyl-1,2-dihydropyridine

C14H20ClN5 — CID 143124526

IUPAC3-[(E)-2-amino-1-chloroethenyl]-6-methylpyrazin-2-amine;5,6-dimethyl-1,2-dihydropyridine
SMILESCC1=C(C)NCC=C1.Cc1cnc(/C(Cl)=C\N)c(N)n1
InChIInChI=1S/C7H9ClN4.C7H11N/c1-4-3-11-6(5(8)2-9)7(10)12-4;1-6-4-3-5-8-7(6)2/h2-3H,9H2,1H3,(H2,10,12);3-4,8H,5H2,1-2H3/b5-2+;
InChIKeyIWDLBWKHXUYBCI-DPZBITMOSA-N
MW293.80 g/mol
LogP2.30
Rot. Bonds1

About 3-[(E)-2-amino-1-chloroethenyl]-6-methylpyrazin-2-amine;5,6-dimethyl-1,2-dihydropyridine

3-[(E)-2-amino-1-chloroethenyl]-6-methylpyrazin-2-amine;5,6-dimethyl-1,2-dihydropyridine (PubChem CID 143124526) has the molecular formula C14H20ClN5 and a molecular weight of 293.80 g/mol. Its IUPAC name is 3-[(E)-2-amino-1-chloroethenyl]-6-methylpyrazin-2-amine;5,6-dimethyl-1,2-dihydropyridine.

Molecular Properties

Compound Name3-[(E)-2-amino-1-chloroethenyl]-6-methylpyrazin-2-amine;5,6-dimethyl-1,2-dihydropyridine
PubChem CID143124526
Molecular FormulaC14H20ClN5
Molecular Weight293.80 g/mol
Exact Mass293.14
IUPAC Name3-[(E)-2-amino-1-chloroethenyl]-6-methylpyrazin-2-amine;5,6-dimethyl-1,2-dihydropyridine
SMILESCC1=C(C)NCC=C1.Cc1cnc(/C(Cl)=C\N)c(N)n1
InChIInChI=1S/C7H9ClN4.C7H11N/c1-4-3-11-6(5(8)2-9)7(10)12-4;1-6-4-3-5-8-7(6)2/h2-3H,9H2,1H3,(H2,10,12);3-4,8H,5H2,1-2H3/b5-2+;
InChIKeyIWDLBWKHXUYBCI-DPZBITMOSA-N
XLogP2.30
TPSA89.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-amino-1-chloroethenyl]-6-methylpyrazin-2-amine;5,6-dimethyl-1,2-dihydropyridine?
The IUPAC name of 3-[(E)-2-amino-1-chloroethenyl]-6-methylpyrazin-2-amine;5,6-dimethyl-1,2-dihydropyridine (CID 143124526) is 3-[(E)-2-amino-1-chloroethenyl]-6-methylpyrazin-2-amine;5,6-dimethyl-1,2-dihydropyridine.
What is the SMILES notation for 3-[(E)-2-amino-1-chloroethenyl]-6-methylpyrazin-2-amine;5,6-dimethyl-1,2-dihydropyridine?
The canonical SMILES for 3-[(E)-2-amino-1-chloroethenyl]-6-methylpyrazin-2-amine;5,6-dimethyl-1,2-dihydropyridine is CC1=C(C)NCC=C1.Cc1cnc(/C(Cl)=C\N)c(N)n1.
What is the InChIKey of 3-[(E)-2-amino-1-chloroethenyl]-6-methylpyrazin-2-amine;5,6-dimethyl-1,2-dihydropyridine?
The InChIKey is IWDLBWKHXUYBCI-DPZBITMOSA-N. The full InChI is InChI=1S/C7H9ClN4.C7H11N/c1-4-3-11-6(5(8)2-9)7(10)12-4;1-6-4-3-5-8-7(6)2/h2-3H,9H2,1H3,(H2,10,12);3-4,8H,5H2,1-2H3/b5-2+;.
What are the key properties of 3-[(E)-2-amino-1-chloroethenyl]-6-methylpyrazin-2-amine;5,6-dimethyl-1,2-dihydropyridine?
3-[(E)-2-amino-1-chloroethenyl]-6-methylpyrazin-2-amine;5,6-dimethyl-1,2-dihydropyridine has a molecular weight of 293.80 g/mol, XLogP of 2.30, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-amino-1-chloroethenyl]-6-methylpyrazin-2-amine;5,6-dimethyl-1,2-dihydropyridine is sourced from PubChem (CID 143124526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).