3-methyl-1,4-dihydro-1,2,4-triazol-5-one;hydrochloride

C3H6ClN3O — CID 158714171

IUPAC3-methyl-1,4-dihydro-1,2,4-triazol-5-one;hydrochloride
SMILESCc1n[nH]c(=O)[nH]1.Cl
InChIInChI=1S/C3H5N3O.ClH/c1-2-4-3(7)6-5-2;/h1H3,(H2,4,5,6,7);1H
InChIKeyIJCHXNGLBOODEO-UHFFFAOYSA-N
MW135.55 g/mol
LogP-0.17
Rot. Bonds

About 3-methyl-1,4-dihydro-1,2,4-triazol-5-one;hydrochloride

3-methyl-1,4-dihydro-1,2,4-triazol-5-one;hydrochloride (PubChem CID 158714171) has the molecular formula C3H6ClN3O and a molecular weight of 135.55 g/mol. Its IUPAC name is 3-methyl-1,4-dihydro-1,2,4-triazol-5-one;hydrochloride.

Molecular Properties

Compound Name3-methyl-1,4-dihydro-1,2,4-triazol-5-one;hydrochloride
PubChem CID158714171
Molecular FormulaC3H6ClN3O
Molecular Weight135.55 g/mol
Exact Mass135.02
IUPAC Name3-methyl-1,4-dihydro-1,2,4-triazol-5-one;hydrochloride
SMILESCc1n[nH]c(=O)[nH]1.Cl
InChIInChI=1S/C3H5N3O.ClH/c1-2-4-3(7)6-5-2;/h1H3,(H2,4,5,6,7);1H
InChIKeyIJCHXNGLBOODEO-UHFFFAOYSA-N
XLogP-0.17
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.55
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,4-dihydro-1,2,4-triazol-5-one;hydrochloride?
The IUPAC name of 3-methyl-1,4-dihydro-1,2,4-triazol-5-one;hydrochloride (CID 158714171) is 3-methyl-1,4-dihydro-1,2,4-triazol-5-one;hydrochloride.
What is the SMILES notation for 3-methyl-1,4-dihydro-1,2,4-triazol-5-one;hydrochloride?
The canonical SMILES for 3-methyl-1,4-dihydro-1,2,4-triazol-5-one;hydrochloride is Cc1n[nH]c(=O)[nH]1.Cl.
What is the InChIKey of 3-methyl-1,4-dihydro-1,2,4-triazol-5-one;hydrochloride?
The InChIKey is IJCHXNGLBOODEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N3O.ClH/c1-2-4-3(7)6-5-2;/h1H3,(H2,4,5,6,7);1H.
What are the key properties of 3-methyl-1,4-dihydro-1,2,4-triazol-5-one;hydrochloride?
3-methyl-1,4-dihydro-1,2,4-triazol-5-one;hydrochloride has a molecular weight of 135.55 g/mol, XLogP of -0.17, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,4-dihydro-1,2,4-triazol-5-one;hydrochloride is sourced from PubChem (CID 158714171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).