2-[(1E,3Z)-4-fluoro-3-methylhexa-1,3,5-trienyl]-1-methyl-2H-pyrazin-5-amine

C12H16FN3 — CID 134359973

IUPAC2-[(1E,3Z)-4-fluoro-3-methylhexa-1,3,5-trienyl]-1-methyl-2H-pyrazin-5-amine
SMILESC=C/C(F)=C(C)/C=C/C1C=NC(N)=CN1C
InChIInChI=1S/C12H16FN3/c1-4-11(13)9(2)5-6-10-7-15-12(14)8-16(10)3/h4-8,10H,1,14H2,2-3H3/b6-5+,11-9-
InChIKeyUCBOAIAADGFEHT-BTHQEHEQSA-N
MW221.28 g/mol
LogP2.11
Rot. Bonds3

About 2-[(1E,3Z)-4-fluoro-3-methylhexa-1,3,5-trienyl]-1-methyl-2H-pyrazin-5-amine

2-[(1E,3Z)-4-fluoro-3-methylhexa-1,3,5-trienyl]-1-methyl-2H-pyrazin-5-amine (PubChem CID 134359973) has the molecular formula C12H16FN3 and a molecular weight of 221.28 g/mol. Its IUPAC name is 2-[(1E,3Z)-4-fluoro-3-methylhexa-1,3,5-trienyl]-1-methyl-2H-pyrazin-5-amine.

Molecular Properties

Compound Name2-[(1E,3Z)-4-fluoro-3-methylhexa-1,3,5-trienyl]-1-methyl-2H-pyrazin-5-amine
PubChem CID134359973
Molecular FormulaC12H16FN3
Molecular Weight221.28 g/mol
Exact Mass221.13
IUPAC Name2-[(1E,3Z)-4-fluoro-3-methylhexa-1,3,5-trienyl]-1-methyl-2H-pyrazin-5-amine
SMILESC=C/C(F)=C(C)/C=C/C1C=NC(N)=CN1C
InChIInChI=1S/C12H16FN3/c1-4-11(13)9(2)5-6-10-7-15-12(14)8-16(10)3/h4-8,10H,1,14H2,2-3H3/b6-5+,11-9-
InChIKeyUCBOAIAADGFEHT-BTHQEHEQSA-N
XLogP2.11
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(1E,3Z)-4-fluoro-3-methylhexa-1,3,5-trienyl]-1-methyl-2H-pyrazin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-methyl-9-prop-1-enyl-4,5-dihydro-1H-pyrido[1,2-d][1,4]diazocin-1-yl)methanimine
CID 123954140
(1-methyl-2H-pyridin-2-yl)methanimine
CID 175068121

Frequently Asked Questions

What is the IUPAC name of 2-[(1E,3Z)-4-fluoro-3-methylhexa-1,3,5-trienyl]-1-methyl-2H-pyrazin-5-amine?
The IUPAC name of 2-[(1E,3Z)-4-fluoro-3-methylhexa-1,3,5-trienyl]-1-methyl-2H-pyrazin-5-amine (CID 134359973) is 2-[(1E,3Z)-4-fluoro-3-methylhexa-1,3,5-trienyl]-1-methyl-2H-pyrazin-5-amine.
What is the SMILES notation for 2-[(1E,3Z)-4-fluoro-3-methylhexa-1,3,5-trienyl]-1-methyl-2H-pyrazin-5-amine?
The canonical SMILES for 2-[(1E,3Z)-4-fluoro-3-methylhexa-1,3,5-trienyl]-1-methyl-2H-pyrazin-5-amine is C=C/C(F)=C(C)/C=C/C1C=NC(N)=CN1C.
What is the InChIKey of 2-[(1E,3Z)-4-fluoro-3-methylhexa-1,3,5-trienyl]-1-methyl-2H-pyrazin-5-amine?
The InChIKey is UCBOAIAADGFEHT-BTHQEHEQSA-N. The full InChI is InChI=1S/C12H16FN3/c1-4-11(13)9(2)5-6-10-7-15-12(14)8-16(10)3/h4-8,10H,1,14H2,2-3H3/b6-5+,11-9-.
What are the key properties of 2-[(1E,3Z)-4-fluoro-3-methylhexa-1,3,5-trienyl]-1-methyl-2H-pyrazin-5-amine?
2-[(1E,3Z)-4-fluoro-3-methylhexa-1,3,5-trienyl]-1-methyl-2H-pyrazin-5-amine has a molecular weight of 221.28 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1E,3Z)-4-fluoro-3-methylhexa-1,3,5-trienyl]-1-methyl-2H-pyrazin-5-amine is sourced from PubChem (CID 134359973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).