(1Z,3Z)-1-(5-methylpyrazin-2-yl)hexa-1,3,5-triene-1,5-diamine

C11H14N4 — CID 89178774

IUPAC(1Z,3Z)-1-(5-methylpyrazin-2-yl)hexa-1,3,5-triene-1,5-diamine
SMILESC=C(N)/C=C\C=C(/N)c1cnc(C)cn1
InChIInChI=1S/C11H14N4/c1-8(12)4-3-5-10(13)11-7-14-9(2)6-15-11/h3-7H,1,12-13H2,2H3/b4-3-,10-5-
InChIKeyFLFQPKLZVOMRHX-QQTPKPIZSA-N
MW202.26 g/mol
LogP1.11
Rot. Bonds3

About (1Z,3Z)-1-(5-methylpyrazin-2-yl)hexa-1,3,5-triene-1,5-diamine

(1Z,3Z)-1-(5-methylpyrazin-2-yl)hexa-1,3,5-triene-1,5-diamine (PubChem CID 89178774) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is (1Z,3Z)-1-(5-methylpyrazin-2-yl)hexa-1,3,5-triene-1,5-diamine.

Molecular Properties

Compound Name(1Z,3Z)-1-(5-methylpyrazin-2-yl)hexa-1,3,5-triene-1,5-diamine
PubChem CID89178774
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name(1Z,3Z)-1-(5-methylpyrazin-2-yl)hexa-1,3,5-triene-1,5-diamine
SMILESC=C(N)/C=C\C=C(/N)c1cnc(C)cn1
InChIInChI=1S/C11H14N4/c1-8(12)4-3-5-10(13)11-7-14-9(2)6-15-11/h3-7H,1,12-13H2,2H3/b4-3-,10-5-
InChIKeyFLFQPKLZVOMRHX-QQTPKPIZSA-N
XLogP1.11
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1Z,3Z)-1-(5-methylpyrazin-2-yl)hexa-1,3,5-triene-1,5-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-1-(5-methylpyrazin-2-yl)hexa-1,3,5-triene-1,5-diamine?
The IUPAC name of (1Z,3Z)-1-(5-methylpyrazin-2-yl)hexa-1,3,5-triene-1,5-diamine (CID 89178774) is (1Z,3Z)-1-(5-methylpyrazin-2-yl)hexa-1,3,5-triene-1,5-diamine.
What is the SMILES notation for (1Z,3Z)-1-(5-methylpyrazin-2-yl)hexa-1,3,5-triene-1,5-diamine?
The canonical SMILES for (1Z,3Z)-1-(5-methylpyrazin-2-yl)hexa-1,3,5-triene-1,5-diamine is C=C(N)/C=C\C=C(/N)c1cnc(C)cn1.
What is the InChIKey of (1Z,3Z)-1-(5-methylpyrazin-2-yl)hexa-1,3,5-triene-1,5-diamine?
The InChIKey is FLFQPKLZVOMRHX-QQTPKPIZSA-N. The full InChI is InChI=1S/C11H14N4/c1-8(12)4-3-5-10(13)11-7-14-9(2)6-15-11/h3-7H,1,12-13H2,2H3/b4-3-,10-5-.
What are the key properties of (1Z,3Z)-1-(5-methylpyrazin-2-yl)hexa-1,3,5-triene-1,5-diamine?
(1Z,3Z)-1-(5-methylpyrazin-2-yl)hexa-1,3,5-triene-1,5-diamine has a molecular weight of 202.26 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-1-(5-methylpyrazin-2-yl)hexa-1,3,5-triene-1,5-diamine is sourced from PubChem (CID 89178774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).