(2Z)-2-(5,6-dimethyl-3-methylidenepyrazin-2-ylidene)-N-methylbut-3-enamide

C12H15N3O — CID 143913527

IUPAC(2Z)-2-(5,6-dimethyl-3-methylidenepyrazin-2-ylidene)-N-methylbut-3-enamide
SMILESC=C/C(C(=O)NC)=c1/nc(C)c(C)nc1=C
InChIInChI=1S/C12H15N3O/c1-6-10(12(16)13-5)11-9(4)14-7(2)8(3)15-11/h6H,1,4H2,2-3,5H3,(H,13,16)/b11-10-
InChIKeyMLQHYOXDKJAQIP-KHPPLWFESA-N
MW217.27 g/mol
LogP-0.41
Rot. Bonds2

About (2Z)-2-(5,6-dimethyl-3-methylidenepyrazin-2-ylidene)-N-methylbut-3-enamide

(2Z)-2-(5,6-dimethyl-3-methylidenepyrazin-2-ylidene)-N-methylbut-3-enamide (PubChem CID 143913527) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is (2Z)-2-(5,6-dimethyl-3-methylidenepyrazin-2-ylidene)-N-methylbut-3-enamide.

Molecular Properties

Compound Name(2Z)-2-(5,6-dimethyl-3-methylidenepyrazin-2-ylidene)-N-methylbut-3-enamide
PubChem CID143913527
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name(2Z)-2-(5,6-dimethyl-3-methylidenepyrazin-2-ylidene)-N-methylbut-3-enamide
SMILESC=C/C(C(=O)NC)=c1/nc(C)c(C)nc1=C
InChIInChI=1S/C12H15N3O/c1-6-10(12(16)13-5)11-9(4)14-7(2)8(3)15-11/h6H,1,4H2,2-3,5H3,(H,13,16)/b11-10-
InChIKeyMLQHYOXDKJAQIP-KHPPLWFESA-N
XLogP-0.41
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(5,6-dimethyl-3-methylidenepyrazin-2-ylidene)-N-methylbut-3-enamide?
The IUPAC name of (2Z)-2-(5,6-dimethyl-3-methylidenepyrazin-2-ylidene)-N-methylbut-3-enamide (CID 143913527) is (2Z)-2-(5,6-dimethyl-3-methylidenepyrazin-2-ylidene)-N-methylbut-3-enamide.
What is the SMILES notation for (2Z)-2-(5,6-dimethyl-3-methylidenepyrazin-2-ylidene)-N-methylbut-3-enamide?
The canonical SMILES for (2Z)-2-(5,6-dimethyl-3-methylidenepyrazin-2-ylidene)-N-methylbut-3-enamide is C=C/C(C(=O)NC)=c1/nc(C)c(C)nc1=C.
What is the InChIKey of (2Z)-2-(5,6-dimethyl-3-methylidenepyrazin-2-ylidene)-N-methylbut-3-enamide?
The InChIKey is MLQHYOXDKJAQIP-KHPPLWFESA-N. The full InChI is InChI=1S/C12H15N3O/c1-6-10(12(16)13-5)11-9(4)14-7(2)8(3)15-11/h6H,1,4H2,2-3,5H3,(H,13,16)/b11-10-.
What are the key properties of (2Z)-2-(5,6-dimethyl-3-methylidenepyrazin-2-ylidene)-N-methylbut-3-enamide?
(2Z)-2-(5,6-dimethyl-3-methylidenepyrazin-2-ylidene)-N-methylbut-3-enamide has a molecular weight of 217.27 g/mol, XLogP of -0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(5,6-dimethyl-3-methylidenepyrazin-2-ylidene)-N-methylbut-3-enamide is sourced from PubChem (CID 143913527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).