6-[(2Z,4Z)-hepta-2,4,6-trienyl]imino-2-methyl-2,3-dihydro-1H-1,3,5-triazin-4-amine

C11H17N5 — CID 176535388

IUPAC6-[(2Z,4Z)-hepta-2,4,6-trienyl]imino-2-methyl-2,3-dihydro-1H-1,3,5-triazin-4-amine
SMILESC=C/C=C\C=C/C/N=C1\N=C(N)NC(C)N1
InChIInChI=1S/C11H17N5/c1-3-4-5-6-7-8-13-11-15-9(2)14-10(12)16-11/h3-7,9H,1,8H2,2H3,(H4,12,13,14,15,16)/b5-4-,7-6-
InChIKeyVOBVWDZPJNHKFA-RZSVFLSASA-N
MW219.29 g/mol
LogP0.49
Rot. Bonds4

About 6-[(2Z,4Z)-hepta-2,4,6-trienyl]imino-2-methyl-2,3-dihydro-1H-1,3,5-triazin-4-amine

6-[(2Z,4Z)-hepta-2,4,6-trienyl]imino-2-methyl-2,3-dihydro-1H-1,3,5-triazin-4-amine (PubChem CID 176535388) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is 6-[(2Z,4Z)-hepta-2,4,6-trienyl]imino-2-methyl-2,3-dihydro-1H-1,3,5-triazin-4-amine.

Molecular Properties

Compound Name6-[(2Z,4Z)-hepta-2,4,6-trienyl]imino-2-methyl-2,3-dihydro-1H-1,3,5-triazin-4-amine
PubChem CID176535388
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name6-[(2Z,4Z)-hepta-2,4,6-trienyl]imino-2-methyl-2,3-dihydro-1H-1,3,5-triazin-4-amine
SMILESC=C/C=C\C=C/C/N=C1\N=C(N)NC(C)N1
InChIInChI=1S/C11H17N5/c1-3-4-5-6-7-8-13-11-15-9(2)14-10(12)16-11/h3-7,9H,1,8H2,2H3,(H4,12,13,14,15,16)/b5-4-,7-6-
InChIKeyVOBVWDZPJNHKFA-RZSVFLSASA-N
XLogP0.49
TPSA74.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(2Z,4Z)-hepta-2,4,6-trienyl]imino-2-methyl-2,3-dihydro-1H-1,3,5-triazin-4-amine?
The IUPAC name of 6-[(2Z,4Z)-hepta-2,4,6-trienyl]imino-2-methyl-2,3-dihydro-1H-1,3,5-triazin-4-amine (CID 176535388) is 6-[(2Z,4Z)-hepta-2,4,6-trienyl]imino-2-methyl-2,3-dihydro-1H-1,3,5-triazin-4-amine.
What is the SMILES notation for 6-[(2Z,4Z)-hepta-2,4,6-trienyl]imino-2-methyl-2,3-dihydro-1H-1,3,5-triazin-4-amine?
The canonical SMILES for 6-[(2Z,4Z)-hepta-2,4,6-trienyl]imino-2-methyl-2,3-dihydro-1H-1,3,5-triazin-4-amine is C=C/C=C\C=C/C/N=C1\N=C(N)NC(C)N1.
What is the InChIKey of 6-[(2Z,4Z)-hepta-2,4,6-trienyl]imino-2-methyl-2,3-dihydro-1H-1,3,5-triazin-4-amine?
The InChIKey is VOBVWDZPJNHKFA-RZSVFLSASA-N. The full InChI is InChI=1S/C11H17N5/c1-3-4-5-6-7-8-13-11-15-9(2)14-10(12)16-11/h3-7,9H,1,8H2,2H3,(H4,12,13,14,15,16)/b5-4-,7-6-.
What are the key properties of 6-[(2Z,4Z)-hepta-2,4,6-trienyl]imino-2-methyl-2,3-dihydro-1H-1,3,5-triazin-4-amine?
6-[(2Z,4Z)-hepta-2,4,6-trienyl]imino-2-methyl-2,3-dihydro-1H-1,3,5-triazin-4-amine has a molecular weight of 219.29 g/mol, XLogP of 0.49, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2Z,4Z)-hepta-2,4,6-trienyl]imino-2-methyl-2,3-dihydro-1H-1,3,5-triazin-4-amine is sourced from PubChem (CID 176535388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).