6-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1,3,5-triazine-2,4-diamine

C10H13N5 — CID 129131915

IUPAC6-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1,3,5-triazine-2,4-diamine
SMILESC=C/C=C(\C=C/C)c1nc(N)nc(N)n1
InChIInChI=1S/C10H13N5/c1-3-5-7(6-4-2)8-13-9(11)15-10(12)14-8/h3-6H,1H2,2H3,(H4,11,12,13,14,15)/b6-4-,7-5+
InChIKeyDEUSXRCLTJEDPD-XGXWUAJZSA-N
MW203.25 g/mol
LogP1.18
Rot. Bonds3

About 6-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1,3,5-triazine-2,4-diamine

6-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1,3,5-triazine-2,4-diamine (PubChem CID 129131915) has the molecular formula C10H13N5 and a molecular weight of 203.25 g/mol. Its IUPAC name is 6-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1,3,5-triazine-2,4-diamine
PubChem CID129131915
Molecular FormulaC10H13N5
Molecular Weight203.25 g/mol
Exact Mass203.12
IUPAC Name6-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1,3,5-triazine-2,4-diamine
SMILESC=C/C=C(\C=C/C)c1nc(N)nc(N)n1
InChIInChI=1S/C10H13N5/c1-3-5-7(6-4-2)8-13-9(11)15-10(12)14-8/h3-6H,1H2,2H3,(H4,11,12,13,14,15)/b6-4-,7-5+
InChIKeyDEUSXRCLTJEDPD-XGXWUAJZSA-N
XLogP1.18
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.18
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)-hepta-1,3,5-trien-4-yl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1,3,5-triazine-2,4-diamine (CID 129131915) is 6-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1,3,5-triazine-2,4-diamine is C=C/C=C(\C=C/C)c1nc(N)nc(N)n1.
What is the InChIKey of 6-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1,3,5-triazine-2,4-diamine?
The InChIKey is DEUSXRCLTJEDPD-XGXWUAJZSA-N. The full InChI is InChI=1S/C10H13N5/c1-3-5-7(6-4-2)8-13-9(11)15-10(12)14-8/h3-6H,1H2,2H3,(H4,11,12,13,14,15)/b6-4-,7-5+.
What are the key properties of 6-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1,3,5-triazine-2,4-diamine?
6-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1,3,5-triazine-2,4-diamine has a molecular weight of 203.25 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 129131915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).