2-N,2-N,4-N-tris(prop-2-enyl)-1,3,5-triazine-2,4,6-triamine

C12H18N6 — CID 22052806

IUPAC2-N,2-N,4-N-tris(prop-2-enyl)-1,3,5-triazine-2,4,6-triamine
SMILESC=CCNc1nc(N)nc(N(CC=C)CC=C)n1
InChIInChI=1S/C12H18N6/c1-4-7-14-11-15-10(13)16-12(17-11)18(8-5-2)9-6-3/h4-6H,1-3,7-9H2,(H3,13,14,15,16,17)
InChIKeyOHRJRJMDAIUNQV-UHFFFAOYSA-N
MW246.32 g/mol
LogP1.23
Rot. Bonds8

About 2-N,2-N,4-N-tris(prop-2-enyl)-1,3,5-triazine-2,4,6-triamine

2-N,2-N,4-N-tris(prop-2-enyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 22052806) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is 2-N,2-N,4-N-tris(prop-2-enyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,2-N,4-N-tris(prop-2-enyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID22052806
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC Name2-N,2-N,4-N-tris(prop-2-enyl)-1,3,5-triazine-2,4,6-triamine
SMILESC=CCNc1nc(N)nc(N(CC=C)CC=C)n1
InChIInChI=1S/C12H18N6/c1-4-7-14-11-15-10(13)16-12(17-11)18(8-5-2)9-6-3/h4-6H,1-3,7-9H2,(H3,13,14,15,16,17)
InChIKeyOHRJRJMDAIUNQV-UHFFFAOYSA-N
XLogP1.23
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N2,N2-Di-2-propen-1-yl-1,3,5-triazine-2,4,6-triamine
CID 66682
N,N'-Diallyl-6-chloro-1,3,5-triazine-2,4-diamine
CID 27306
Oxonazine
CID 168891
N-Allyl-4,6-dichloro-1,3,5-triazin-2-amine
CID 35294
N-Allyl-N-cyano-N',N''-bis(isopropyl)-1,3,5-triazine-2,4,6-triamine
CID 621427
4,6-Dimethoxy-N-2-propen-1-yl-1,3,5-triazin-2-amine
CID 2056933
s-Triazine, 4-amino-2-diallylamino-6-(N,N-dimethylformamidino)-
CID 9578379
[4,6-Bis(dimethylamino)-1,3,5-triazin-2-yl]-prop-2-enylcyanamide
CID 750966
Cambridge id 5304492
CID 2056339
1,3,5-Triazine-2,4,6-triamine, N,N'-di-2-propenyl-
CID 35075
6-chloro-4-N-prop-2-enyl-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 44725283
2,4,6-Triallylamino-sym-triazine
CID 35080

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,4-N-tris(prop-2-enyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,2-N,4-N-tris(prop-2-enyl)-1,3,5-triazine-2,4,6-triamine (CID 22052806) is 2-N,2-N,4-N-tris(prop-2-enyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,2-N,4-N-tris(prop-2-enyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,2-N,4-N-tris(prop-2-enyl)-1,3,5-triazine-2,4,6-triamine is C=CCNc1nc(N)nc(N(CC=C)CC=C)n1.
What is the InChIKey of 2-N,2-N,4-N-tris(prop-2-enyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is OHRJRJMDAIUNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6/c1-4-7-14-11-15-10(13)16-12(17-11)18(8-5-2)9-6-3/h4-6H,1-3,7-9H2,(H3,13,14,15,16,17).
What are the key properties of 2-N,2-N,4-N-tris(prop-2-enyl)-1,3,5-triazine-2,4,6-triamine?
2-N,2-N,4-N-tris(prop-2-enyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 246.32 g/mol, XLogP of 1.23, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,4-N-tris(prop-2-enyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 22052806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).