4,5-dimethyltriazine;ethane

C7H13N3 — CID 143657712

IUPAC4,5-dimethyltriazine;ethane
SMILESCC.Cc1cnnnc1C
InChIInChI=1S/C5H7N3.C2H6/c1-4-3-6-8-7-5(4)2;1-2/h3H,1-2H3;1-2H3
InChIKeyCJAWFFNDJYJWGY-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.51
Rot. Bonds

About 4,5-dimethyltriazine;ethane

4,5-dimethyltriazine;ethane (PubChem CID 143657712) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 4,5-dimethyltriazine;ethane.

Molecular Properties

Compound Name4,5-dimethyltriazine;ethane
PubChem CID143657712
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name4,5-dimethyltriazine;ethane
SMILESCC.Cc1cnnnc1C
InChIInChI=1S/C5H7N3.C2H6/c1-4-3-6-8-7-5(4)2;1-2/h3H,1-2H3;1-2H3
InChIKeyCJAWFFNDJYJWGY-UHFFFAOYSA-N
XLogP1.51
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;3,4,5-trimethylpyridazine
CID 142187300
3,4-dimethylpyridazine;ethane;propane
CID 164863019
butane;3,4-dimethylpyridazine;ethane
CID 142319830
3,4-dimethylpyridazine;isocyanic acid
CID 175351982
4,5-bis(ethenyl)triazine;ethane
CID 145045401
5-methylpyridazin-4-amine
CID 55291341
6-methylfuro[2,3-d]triazine
CID 163060383
2,3-dimethylpyrazine;bis(3,4-dimethylpyridazine);4,5-dimethylpyridazine;bis(4,5-dimethylpyrimidine);ethane;bis(3,5,6-trimethyl-1,2,4-triazine)
CID 159055777
3-bromo-5-methylpyridazin-4-amine
CID 82405237
4,5-dichlorotriazine;toluene
CID 137410979
4-chloro-5-methoxytriazine
CID 154129346
3-(bromomethyl)-4-methylpyridazine
CID 171099749

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyltriazine;ethane?
The IUPAC name of 4,5-dimethyltriazine;ethane (CID 143657712) is 4,5-dimethyltriazine;ethane.
What is the SMILES notation for 4,5-dimethyltriazine;ethane?
The canonical SMILES for 4,5-dimethyltriazine;ethane is CC.Cc1cnnnc1C.
What is the InChIKey of 4,5-dimethyltriazine;ethane?
The InChIKey is CJAWFFNDJYJWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3.C2H6/c1-4-3-6-8-7-5(4)2;1-2/h3H,1-2H3;1-2H3.
What are the key properties of 4,5-dimethyltriazine;ethane?
4,5-dimethyltriazine;ethane has a molecular weight of 139.20 g/mol, XLogP of 1.51, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyltriazine;ethane is sourced from PubChem (CID 143657712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).