1,3,5-triazine

C3H3N3 — CID 9262

IUPAC1,3,5-triazine
SMILESc1ncncn1
InChIInChI=1S/C3H3N3/c1-4-2-6-3-5-1/h1-3H
InChIKeyJIHQDMXYYFUGFV-UHFFFAOYSA-N
MW81.08 g/mol
LogP-0.13
Rot. Bonds

About 1,3,5-triazine

1,3,5-triazine (PubChem CID 9262) has the molecular formula C3H3N3 and a molecular weight of 81.08 g/mol. Its IUPAC name is 1,3,5-triazine.

Molecular Properties

Compound Name1,3,5-triazine
PubChem CID9262
Molecular FormulaC3H3N3
Molecular Weight81.08 g/mol
Exact Mass81.03
IUPAC Name1,3,5-triazine
SMILESc1ncncn1
InChIInChI=1S/C3H3N3/c1-4-2-6-3-5-1/h1-3H
InChIKeyJIHQDMXYYFUGFV-UHFFFAOYSA-N
XLogP-0.13
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50081.08
LogP ≤ 5-0.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3,5-Triazine-2,4-diamine
CID 10435
1,3,5-Triazin-2-amine
CID 20077
2,4-Dichloro-1,3,5-triazine
CID 17810
1,3,5-Triazin-2-amine, 4-chloro-
CID 24381
(~2~H_3_)-1,3,5-Triazine
CID 16217608
2-Chloro-4-fluoro-1,3,5-triazine
CID 54066451
2-Chloro-1,3,5-triazine
CID 5215566
Difluoro-1,3,5-triazine
CID 20062980
Amino-fluoro-s-triazine
CID 20081031
2-Fluoro-1,3,5-triazine
CID 21219660
1,3,5-Triazine hydrochloride
CID 17876122
1,3,5,2-Triazaphosphorine
CID 19428710

Frequently Asked Questions

What is the IUPAC name of 1,3,5-triazine?
The IUPAC name of 1,3,5-triazine (CID 9262) is 1,3,5-triazine.
What is the SMILES notation for 1,3,5-triazine?
The canonical SMILES for 1,3,5-triazine is c1ncncn1.
What is the InChIKey of 1,3,5-triazine?
The InChIKey is JIHQDMXYYFUGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N3/c1-4-2-6-3-5-1/h1-3H.
What are the key properties of 1,3,5-triazine?
1,3,5-triazine has a molecular weight of 81.08 g/mol, XLogP of -0.13, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-triazine is sourced from PubChem (CID 9262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).