2-N,6-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine

C9H13N5 — CID 22605178

IUPAC2-N,6-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1nc(N)nc(CC=C)n1
InChIInChI=1S/C9H13N5/c1-3-5-7-12-8(10)14-9(13-7)11-6-4-2/h3-4H,1-2,5-6H2,(H3,10,11,12,13,14)
InChIKeyKQANCECJVWMNOP-UHFFFAOYSA-N
MW191.24 g/mol
LogP0.78
Rot. Bonds5

About 2-N,6-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine

2-N,6-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine (PubChem CID 22605178) has the molecular formula C9H13N5 and a molecular weight of 191.24 g/mol. Its IUPAC name is 2-N,6-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,6-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
PubChem CID22605178
Molecular FormulaC9H13N5
Molecular Weight191.24 g/mol
Exact Mass191.12
IUPAC Name2-N,6-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1nc(N)nc(CC=C)n1
InChIInChI=1S/C9H13N5/c1-3-5-7-12-8(10)14-9(13-7)11-6-4-2/h3-4H,1-2,5-6H2,(H3,10,11,12,13,14)
InChIKeyKQANCECJVWMNOP-UHFFFAOYSA-N
XLogP0.78
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.24
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-N,6-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,6-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine (CID 22605178) is 2-N,6-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,6-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,6-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine is C=CCNc1nc(N)nc(CC=C)n1.
What is the InChIKey of 2-N,6-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is KQANCECJVWMNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5/c1-3-5-7-12-8(10)14-9(13-7)11-6-4-2/h3-4H,1-2,5-6H2,(H3,10,11,12,13,14).
What are the key properties of 2-N,6-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine?
2-N,6-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 191.24 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 22605178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).