6-methyl-2H-1,2,4-triazine-3,5-dione;hydrochloride

C4H6ClN3O2 — CID 91900878

IUPAC6-methyl-2H-1,2,4-triazine-3,5-dione;hydrochloride
SMILESCc1n[nH]c(=O)[nH]c1=O.Cl
InChIInChI=1S/C4H5N3O2.ClH/c1-2-3(8)5-4(9)7-6-2;/h1H3,(H2,5,7,8,9);1H
InChIKeyUZSKBSJDZHOQRO-UHFFFAOYSA-N
MW163.56 g/mol
LogP-0.81
Rot. Bonds

About 6-methyl-2H-1,2,4-triazine-3,5-dione;hydrochloride

6-methyl-2H-1,2,4-triazine-3,5-dione;hydrochloride (PubChem CID 91900878) has the molecular formula C4H6ClN3O2 and a molecular weight of 163.56 g/mol. Its IUPAC name is 6-methyl-2H-1,2,4-triazine-3,5-dione;hydrochloride.

Molecular Properties

Compound Name6-methyl-2H-1,2,4-triazine-3,5-dione;hydrochloride
PubChem CID91900878
Molecular FormulaC4H6ClN3O2
Molecular Weight163.56 g/mol
Exact Mass163.01
IUPAC Name6-methyl-2H-1,2,4-triazine-3,5-dione;hydrochloride
SMILESCc1n[nH]c(=O)[nH]c1=O.Cl
InChIInChI=1S/C4H5N3O2.ClH/c1-2-3(8)5-4(9)7-6-2;/h1H3,(H2,5,7,8,9);1H
InChIKeyUZSKBSJDZHOQRO-UHFFFAOYSA-N
XLogP-0.81
TPSA78.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.56
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-Azathymine
CID 70269
4,6-Dimethyl-1,2,4-triazine-3,5(2H,4H)-dione
CID 245931
4-amino-6-methyl-2H-1,2,4-triazine-3,5-dione
CID 11073521
2,6-Dimethyl-1,2,4-triazine-3,5(2H,4H)-dione
CID 244943
6-(Fluoromethyl)-1,2,4-triazine-3,5(2h,4h)-dione
CID 263427
1,2,4-Triazine-3,5(2H,4H)-dione, 6-propyl-
CID 15277155
6-Ethyl-1,2,4-triazine-3,5(2H,4H)-dione
CID 23273425
6-Isopropyl-1,2,4-triazine-3,5(2h,4h)-dione
CID 45071933
6-(Chloromethyl)-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione
CID 12276383
6-(difluoromethyl)-1,2,4-triazine-3,5(2H,4H)-dione
CID 157490353
CID 158950829
CID 158950829
2-acetyl-6-methyl-1,2,4-triazine-3,5(2H,4H)-dione
CID 44725398

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2H-1,2,4-triazine-3,5-dione;hydrochloride?
The IUPAC name of 6-methyl-2H-1,2,4-triazine-3,5-dione;hydrochloride (CID 91900878) is 6-methyl-2H-1,2,4-triazine-3,5-dione;hydrochloride.
What is the SMILES notation for 6-methyl-2H-1,2,4-triazine-3,5-dione;hydrochloride?
The canonical SMILES for 6-methyl-2H-1,2,4-triazine-3,5-dione;hydrochloride is Cc1n[nH]c(=O)[nH]c1=O.Cl.
What is the InChIKey of 6-methyl-2H-1,2,4-triazine-3,5-dione;hydrochloride?
The InChIKey is UZSKBSJDZHOQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3O2.ClH/c1-2-3(8)5-4(9)7-6-2;/h1H3,(H2,5,7,8,9);1H.
What are the key properties of 6-methyl-2H-1,2,4-triazine-3,5-dione;hydrochloride?
6-methyl-2H-1,2,4-triazine-3,5-dione;hydrochloride has a molecular weight of 163.56 g/mol, XLogP of -0.81, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2H-1,2,4-triazine-3,5-dione;hydrochloride is sourced from PubChem (CID 91900878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).