2-chloro-6-methyl-3-phenyl-5-[(Z)-prop-1-enyl]pyrazine;ethane

C16H19ClN2 — CID 145442397

IUPAC2-chloro-6-methyl-3-phenyl-5-[(Z)-prop-1-enyl]pyrazine;ethane
SMILESC/C=C\c1nc(-c2ccccc2)c(Cl)nc1C.CC
InChIInChI=1S/C14H13ClN2.C2H6/c1-3-7-12-10(2)16-14(15)13(17-12)11-8-5-4-6-9-11;1-2/h3-9H,1-2H3;1-2H3/b7-3-;
InChIKeyUFRJIIDCXWPYJC-WYLUAFJRSA-N
MW274.80 g/mol
LogP5.16
Rot. Bonds2

About 2-chloro-6-methyl-3-phenyl-5-[(Z)-prop-1-enyl]pyrazine;ethane

2-chloro-6-methyl-3-phenyl-5-[(Z)-prop-1-enyl]pyrazine;ethane (PubChem CID 145442397) has the molecular formula C16H19ClN2 and a molecular weight of 274.80 g/mol. Its IUPAC name is 2-chloro-6-methyl-3-phenyl-5-[(Z)-prop-1-enyl]pyrazine;ethane.

Molecular Properties

Compound Name2-chloro-6-methyl-3-phenyl-5-[(Z)-prop-1-enyl]pyrazine;ethane
PubChem CID145442397
Molecular FormulaC16H19ClN2
Molecular Weight274.80 g/mol
Exact Mass274.12
IUPAC Name2-chloro-6-methyl-3-phenyl-5-[(Z)-prop-1-enyl]pyrazine;ethane
SMILESC/C=C\c1nc(-c2ccccc2)c(Cl)nc1C.CC
InChIInChI=1S/C14H13ClN2.C2H6/c1-3-7-12-10(2)16-14(15)13(17-12)11-8-5-4-6-9-11;1-2/h3-9H,1-2H3;1-2H3/b7-3-;
InChIKeyUFRJIIDCXWPYJC-WYLUAFJRSA-N
XLogP5.16
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.80
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-3-(4-chlorophenyl)-5,6-diphenylpyrazine
CID 155576945
2-chloro-5-methyl-3-phenylquinoxaline
CID 86730310
2-chloro-4-ethyl-6-phenyl-5-[(Z)-prop-1-enyl]pyrimidine
CID 142570406
3,5-dichloro-4-methyl-6-phenylpyridazine
CID 86117027
benzene;1,1'-biphenyl;(E)-but-2-ene;ethane
CID 161147131
5-chloro-6-methyl-3-phenyl-1,4-oxazin-2-one
CID 11401775
2,6-dichloro-4,8-diphenylpyrimido[5,4-d]pyrimidine
CID 88869157
4-methyl-3-phenyl-1-[(E)-2-phenylethenyl]isoquinoline
CID 62707087
5-bromo-2,4-dichloro-6-methyl-3-phenylpyridine
CID 59007781
1,4-diphenyl-3-prop-1-enylpyrazole;ethane
CID 54498464
2-[3-(5-chloro-3,6-diphenylpyrazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 170781190
2-chloro-5-(4-methylphenyl)-4-phenyl-1H-imidazole
CID 57100935

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-3-phenyl-5-[(Z)-prop-1-enyl]pyrazine;ethane?
The IUPAC name of 2-chloro-6-methyl-3-phenyl-5-[(Z)-prop-1-enyl]pyrazine;ethane (CID 145442397) is 2-chloro-6-methyl-3-phenyl-5-[(Z)-prop-1-enyl]pyrazine;ethane.
What is the SMILES notation for 2-chloro-6-methyl-3-phenyl-5-[(Z)-prop-1-enyl]pyrazine;ethane?
The canonical SMILES for 2-chloro-6-methyl-3-phenyl-5-[(Z)-prop-1-enyl]pyrazine;ethane is C/C=C\c1nc(-c2ccccc2)c(Cl)nc1C.CC.
What is the InChIKey of 2-chloro-6-methyl-3-phenyl-5-[(Z)-prop-1-enyl]pyrazine;ethane?
The InChIKey is UFRJIIDCXWPYJC-WYLUAFJRSA-N. The full InChI is InChI=1S/C14H13ClN2.C2H6/c1-3-7-12-10(2)16-14(15)13(17-12)11-8-5-4-6-9-11;1-2/h3-9H,1-2H3;1-2H3/b7-3-;.
What are the key properties of 2-chloro-6-methyl-3-phenyl-5-[(Z)-prop-1-enyl]pyrazine;ethane?
2-chloro-6-methyl-3-phenyl-5-[(Z)-prop-1-enyl]pyrazine;ethane has a molecular weight of 274.80 g/mol, XLogP of 5.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-3-phenyl-5-[(Z)-prop-1-enyl]pyrazine;ethane is sourced from PubChem (CID 145442397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).