1,3-bis(prop-2-enyl)-2,4-dihydro-1,3,5-triazine

C9H15N3 — CID 157457635

IUPAC1,3-bis(prop-2-enyl)-2,4-dihydro-1,3,5-triazine
SMILESC=CCN1C=NCN(CC=C)C1
InChIInChI=1S/C9H15N3/c1-3-5-11-7-10-8-12(9-11)6-4-2/h3-4,7H,1-2,5-6,8-9H2
InChIKeyBTNYDFDRFNXTMJ-UHFFFAOYSA-N
MW165.24 g/mol
LogP0.92
Rot. Bonds4

About 1,3-bis(prop-2-enyl)-2,4-dihydro-1,3,5-triazine

1,3-bis(prop-2-enyl)-2,4-dihydro-1,3,5-triazine (PubChem CID 157457635) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 1,3-bis(prop-2-enyl)-2,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name1,3-bis(prop-2-enyl)-2,4-dihydro-1,3,5-triazine
PubChem CID157457635
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name1,3-bis(prop-2-enyl)-2,4-dihydro-1,3,5-triazine
SMILESC=CCN1C=NCN(CC=C)C1
InChIInChI=1S/C9H15N3/c1-3-5-11-7-10-8-12(9-11)6-4-2/h3-4,7H,1-2,5-6,8-9H2
InChIKeyBTNYDFDRFNXTMJ-UHFFFAOYSA-N
XLogP0.92
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(prop-2-enyl)-2,4-dihydro-1,3,5-triazine?
The IUPAC name of 1,3-bis(prop-2-enyl)-2,4-dihydro-1,3,5-triazine (CID 157457635) is 1,3-bis(prop-2-enyl)-2,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 1,3-bis(prop-2-enyl)-2,4-dihydro-1,3,5-triazine?
The canonical SMILES for 1,3-bis(prop-2-enyl)-2,4-dihydro-1,3,5-triazine is C=CCN1C=NCN(CC=C)C1.
What is the InChIKey of 1,3-bis(prop-2-enyl)-2,4-dihydro-1,3,5-triazine?
The InChIKey is BTNYDFDRFNXTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-3-5-11-7-10-8-12(9-11)6-4-2/h3-4,7H,1-2,5-6,8-9H2.
What are the key properties of 1,3-bis(prop-2-enyl)-2,4-dihydro-1,3,5-triazine?
1,3-bis(prop-2-enyl)-2,4-dihydro-1,3,5-triazine has a molecular weight of 165.24 g/mol, XLogP of 0.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(prop-2-enyl)-2,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 157457635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).