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

C9H17N3 — CID 70399561

IUPAC2,4-bis(prop-2-enyl)-1,3,5-triazinane
SMILESC=CCC1NCNC(CC=C)N1
InChIInChI=1S/C9H17N3/c1-3-5-8-10-7-11-9(12-8)6-4-2/h3-4,8-12H,1-2,5-7H2
InChIKeyUPHYGYXBFSGIRA-UHFFFAOYSA-N
MW167.26 g/mol
LogP0.53
Rot. Bonds4

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

2,4-bis(prop-2-enyl)-1,3,5-triazinane (PubChem CID 70399561) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 2,4-bis(prop-2-enyl)-1,3,5-triazinane.

Molecular Properties

Compound Name2,4-bis(prop-2-enyl)-1,3,5-triazinane
PubChem CID70399561
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name2,4-bis(prop-2-enyl)-1,3,5-triazinane
SMILESC=CCC1NCNC(CC=C)N1
InChIInChI=1S/C9H17N3/c1-3-5-8-10-7-11-9(12-8)6-4-2/h3-4,8-12H,1-2,5-7H2
InChIKeyUPHYGYXBFSGIRA-UHFFFAOYSA-N
XLogP0.53
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 50.53
H-Bond Donors ≤ 53
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 2,4-bis(prop-2-enyl)-1,3,5-triazinane?
The IUPAC name of 2,4-bis(prop-2-enyl)-1,3,5-triazinane (CID 70399561) is 2,4-bis(prop-2-enyl)-1,3,5-triazinane.
What is the SMILES notation for 2,4-bis(prop-2-enyl)-1,3,5-triazinane?
The canonical SMILES for 2,4-bis(prop-2-enyl)-1,3,5-triazinane is C=CCC1NCNC(CC=C)N1.
What is the InChIKey of 2,4-bis(prop-2-enyl)-1,3,5-triazinane?
The InChIKey is UPHYGYXBFSGIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-3-5-8-10-7-11-9(12-8)6-4-2/h3-4,8-12H,1-2,5-7H2.
What are the key properties of 2,4-bis(prop-2-enyl)-1,3,5-triazinane?
2,4-bis(prop-2-enyl)-1,3,5-triazinane has a molecular weight of 167.26 g/mol, XLogP of 0.53, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(prop-2-enyl)-1,3,5-triazinane is sourced from PubChem (CID 70399561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).