4,6-bis(prop-2-enyl)-1,3,5-triazin-2-amine

C9H12N4 — CID 66668677

IUPAC4,6-bis(prop-2-enyl)-1,3,5-triazin-2-amine
SMILESC=CCc1nc(N)nc(CC=C)n1
InChIInChI=1S/C9H12N4/c1-3-5-7-11-8(6-4-2)13-9(10)12-7/h3-4H,1-2,5-6H2,(H2,10,11,12,13)
InChIKeyAEMZUYSAGMMTJC-UHFFFAOYSA-N
MW176.22 g/mol
LogP0.91
Rot. Bonds4

About 4,6-bis(prop-2-enyl)-1,3,5-triazin-2-amine

4,6-bis(prop-2-enyl)-1,3,5-triazin-2-amine (PubChem CID 66668677) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is 4,6-bis(prop-2-enyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-bis(prop-2-enyl)-1,3,5-triazin-2-amine
PubChem CID66668677
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name4,6-bis(prop-2-enyl)-1,3,5-triazin-2-amine
SMILESC=CCc1nc(N)nc(CC=C)n1
InChIInChI=1S/C9H12N4/c1-3-5-7-11-8(6-4-2)13-9(10)12-7/h3-4H,1-2,5-6H2,(H2,10,11,12,13)
InChIKeyAEMZUYSAGMMTJC-UHFFFAOYSA-N
XLogP0.91
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 4,6-bis(prop-2-enyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-bis(prop-2-enyl)-1,3,5-triazin-2-amine (CID 66668677) is 4,6-bis(prop-2-enyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-bis(prop-2-enyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-bis(prop-2-enyl)-1,3,5-triazin-2-amine is C=CCc1nc(N)nc(CC=C)n1.
What is the InChIKey of 4,6-bis(prop-2-enyl)-1,3,5-triazin-2-amine?
The InChIKey is AEMZUYSAGMMTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c1-3-5-7-11-8(6-4-2)13-9(10)12-7/h3-4H,1-2,5-6H2,(H2,10,11,12,13).
What are the key properties of 4,6-bis(prop-2-enyl)-1,3,5-triazin-2-amine?
4,6-bis(prop-2-enyl)-1,3,5-triazin-2-amine has a molecular weight of 176.22 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(prop-2-enyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 66668677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).