6-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1,3,5-triazine-2,4-diamine

C11H13N5 — CID 130317639

IUPAC6-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1,3,5-triazine-2,4-diamine
SMILESC=C/C=C\C(=C/C=C)c1nc(N)nc(N)n1
InChIInChI=1S/C11H13N5/c1-3-5-7-8(6-4-2)9-14-10(12)16-11(13)15-9/h3-7H,1-2H2,(H4,12,13,14,15,16)/b7-5-,8-6+
InChIKeyZFQBFDXBHYXHJP-CGXWXWIYSA-N
MW215.26 g/mol
LogP1.35
Rot. Bonds4

About 6-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1,3,5-triazine-2,4-diamine

6-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1,3,5-triazine-2,4-diamine (PubChem CID 130317639) has the molecular formula C11H13N5 and a molecular weight of 215.26 g/mol. Its IUPAC name is 6-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1,3,5-triazine-2,4-diamine
PubChem CID130317639
Molecular FormulaC11H13N5
Molecular Weight215.26 g/mol
Exact Mass215.12
IUPAC Name6-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1,3,5-triazine-2,4-diamine
SMILESC=C/C=C\C(=C/C=C)c1nc(N)nc(N)n1
InChIInChI=1S/C11H13N5/c1-3-5-7-8(6-4-2)9-14-10(12)16-11(13)15-9/h3-7H,1-2H2,(H4,12,13,14,15,16)/b7-5-,8-6+
InChIKeyZFQBFDXBHYXHJP-CGXWXWIYSA-N
XLogP1.35
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1,3,5-triazine-2,4-diamine (CID 130317639) is 6-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1,3,5-triazine-2,4-diamine is C=C/C=C\C(=C/C=C)c1nc(N)nc(N)n1.
What is the InChIKey of 6-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1,3,5-triazine-2,4-diamine?
The InChIKey is ZFQBFDXBHYXHJP-CGXWXWIYSA-N. The full InChI is InChI=1S/C11H13N5/c1-3-5-7-8(6-4-2)9-14-10(12)16-11(13)15-9/h3-7H,1-2H2,(H4,12,13,14,15,16)/b7-5-,8-6+.
What are the key properties of 6-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1,3,5-triazine-2,4-diamine?
6-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1,3,5-triazine-2,4-diamine has a molecular weight of 215.26 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 130317639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).