5-methyl-4,5-dihydrotriazine

C4H7N3 — CID 123713272

IUPAC5-methyl-4,5-dihydrotriazine
SMILESCC1C=NN=NC1
InChIInChI=1S/C4H7N3/c1-4-2-5-7-6-3-4/h2,4H,3H2,1H3
InChIKeyYDQZLCGWDAWCEE-UHFFFAOYSA-N
MW97.12 g/mol
LogP1.07
Rot. Bonds

About 5-methyl-4,5-dihydrotriazine

5-methyl-4,5-dihydrotriazine (PubChem CID 123713272) has the molecular formula C4H7N3 and a molecular weight of 97.12 g/mol. Its IUPAC name is 5-methyl-4,5-dihydrotriazine.

Molecular Properties

Compound Name5-methyl-4,5-dihydrotriazine
PubChem CID123713272
Molecular FormulaC4H7N3
Molecular Weight97.12 g/mol
Exact Mass97.06
IUPAC Name5-methyl-4,5-dihydrotriazine
SMILESCC1C=NN=NC1
InChIInChI=1S/C4H7N3/c1-4-2-5-7-6-3-4/h2,4H,3H2,1H3
InChIKeyYDQZLCGWDAWCEE-UHFFFAOYSA-N
XLogP1.07
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.12
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-methyl-4,5-dihydropyridazine
CID 172589325
(5S)-3,5-dimethyl-4,5-dihydropyridazine
CID 89495190
5-methyl-2-propan-2-yl-4,5-dihydropyrimidine
CID 138457030
2-(disulfanyl)-5-methyl-4,5-dihydropyrimidine
CID 90818653
ethane;4-methyl-4H-pyrazole
CID 90945974
(3R)-3,6-dimethyl-3,4-dihydropyridine
CID 89130617
(3R,4S)-3,4-dimethyl-3,4-dihydro-2H-pyrrole
CID 59584722
3-methyl-3,4-dihydro-2H-pyrrol-4-amine
CID 57259265
(4S)-2,4-dimethyl-3,4-dihydropyrazole
CID 59391435
5-methyl-2,3,4,5-tetrahydropyridine
CID 15649176
6-methyl-3,6-dihydro-2H-tetrazepine
CID 143500098
6-methyl-1,2,6,7-tetrahydro-1,4-diazepin-3-one
CID 142458893

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4,5-dihydrotriazine?
The IUPAC name of 5-methyl-4,5-dihydrotriazine (CID 123713272) is 5-methyl-4,5-dihydrotriazine.
What is the SMILES notation for 5-methyl-4,5-dihydrotriazine?
The canonical SMILES for 5-methyl-4,5-dihydrotriazine is CC1C=NN=NC1.
What is the InChIKey of 5-methyl-4,5-dihydrotriazine?
The InChIKey is YDQZLCGWDAWCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3/c1-4-2-5-7-6-3-4/h2,4H,3H2,1H3.
What are the key properties of 5-methyl-4,5-dihydrotriazine?
5-methyl-4,5-dihydrotriazine has a molecular weight of 97.12 g/mol, XLogP of 1.07, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4,5-dihydrotriazine is sourced from PubChem (CID 123713272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).