3-hept-5-en-2-ylidene-4-methylpyrazin-2-amine

C12H19N3 — CID 123804231

IUPAC3-hept-5-en-2-ylidene-4-methylpyrazin-2-amine
SMILESCC=CCCC(C)=C1C(N)=NC=CN1C
InChIInChI=1S/C12H19N3/c1-4-5-6-7-10(2)11-12(13)14-8-9-15(11)3/h4-5,8-9H,6-7H2,1-3H3,(H2,13,14)
InChIKeyVIFOUSKTZPWUGB-UHFFFAOYSA-N
MW205.31 g/mol
LogP2.39
Rot. Bonds3

About 3-hept-5-en-2-ylidene-4-methylpyrazin-2-amine

3-hept-5-en-2-ylidene-4-methylpyrazin-2-amine (PubChem CID 123804231) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is 3-hept-5-en-2-ylidene-4-methylpyrazin-2-amine.

Molecular Properties

Compound Name3-hept-5-en-2-ylidene-4-methylpyrazin-2-amine
PubChem CID123804231
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name3-hept-5-en-2-ylidene-4-methylpyrazin-2-amine
SMILESCC=CCCC(C)=C1C(N)=NC=CN1C
InChIInChI=1S/C12H19N3/c1-4-5-6-7-10(2)11-12(13)14-8-9-15(11)3/h4-5,8-9H,6-7H2,1-3H3,(H2,13,14)
InChIKeyVIFOUSKTZPWUGB-UHFFFAOYSA-N
XLogP2.39
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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4-Hex-1-en-2-yl-3-hex-4-en-2-ylidene-5-methylpyrazin-2-amine
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CID 123994608
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2-amino-3-methyl-N'-[(E)-pent-1-enyl]but-2-enimidamide
CID 145259352
(2Z,4E)-3-buta-1,3-dien-2-yl-N'-ethenyl-2-(methylideneamino)hexa-2,4-dienimidamide
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Frequently Asked Questions

What is the IUPAC name of 3-hept-5-en-2-ylidene-4-methylpyrazin-2-amine?
The IUPAC name of 3-hept-5-en-2-ylidene-4-methylpyrazin-2-amine (CID 123804231) is 3-hept-5-en-2-ylidene-4-methylpyrazin-2-amine.
What is the SMILES notation for 3-hept-5-en-2-ylidene-4-methylpyrazin-2-amine?
The canonical SMILES for 3-hept-5-en-2-ylidene-4-methylpyrazin-2-amine is CC=CCCC(C)=C1C(N)=NC=CN1C.
What is the InChIKey of 3-hept-5-en-2-ylidene-4-methylpyrazin-2-amine?
The InChIKey is VIFOUSKTZPWUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-4-5-6-7-10(2)11-12(13)14-8-9-15(11)3/h4-5,8-9H,6-7H2,1-3H3,(H2,13,14).
What are the key properties of 3-hept-5-en-2-ylidene-4-methylpyrazin-2-amine?
3-hept-5-en-2-ylidene-4-methylpyrazin-2-amine has a molecular weight of 205.31 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hept-5-en-2-ylidene-4-methylpyrazin-2-amine is sourced from PubChem (CID 123804231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).