3-(aminomethyl)-4-methyl-1H-1,2,4-triazol-5-one;hydrochloride

C4H9ClN4O — CID 122156630

IUPAC3-(aminomethyl)-4-methyl-1H-1,2,4-triazol-5-one;hydrochloride
SMILESCl.Cn1c(CN)n[nH]c1=O
InChIInChI=1S/C4H8N4O.ClH/c1-8-3(2-5)6-7-4(8)9;/h2,5H2,1H3,(H,7,9);1H
InChIKeyWSWGDIUEOXNQKK-UHFFFAOYSA-N
MW164.60 g/mol
LogP-1.01
Rot. Bonds1

About 3-(aminomethyl)-4-methyl-1H-1,2,4-triazol-5-one;hydrochloride

3-(aminomethyl)-4-methyl-1H-1,2,4-triazol-5-one;hydrochloride (PubChem CID 122156630) has the molecular formula C4H9ClN4O and a molecular weight of 164.60 g/mol. Its IUPAC name is 3-(aminomethyl)-4-methyl-1H-1,2,4-triazol-5-one;hydrochloride.

Molecular Properties

Compound Name3-(aminomethyl)-4-methyl-1H-1,2,4-triazol-5-one;hydrochloride
PubChem CID122156630
Molecular FormulaC4H9ClN4O
Molecular Weight164.60 g/mol
Exact Mass164.05
IUPAC Name3-(aminomethyl)-4-methyl-1H-1,2,4-triazol-5-one;hydrochloride
SMILESCl.Cn1c(CN)n[nH]c1=O
InChIInChI=1S/C4H8N4O.ClH/c1-8-3(2-5)6-7-4(8)9;/h2,5H2,1H3,(H,7,9);1H
InChIKeyWSWGDIUEOXNQKK-UHFFFAOYSA-N
XLogP-1.01
TPSA76.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.60
LogP ≤ 5-1.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3H-1,2,4-Triazol-3-one, 2,4-dihydro-4,5-dimethyl-
CID 143196
4-ethyl-3-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 12235074
3-(1-aminoethyl)-4-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one hydrochloride
CID 121553705
3-(aminomethyl)-1,4-dimethyl-4,5-dihydro-1H-1,2,4-triazol-5-one hydrochloride
CID 167725897
3-(aminomethyl)-4-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 81908907
5-Methylaminomethyl-2,4-dihydro-[1,2,4]triazol-3-one
CID 135469014
3-(methylaminomethyl)-4-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-5-one
CID 116013737
5-(2-Aminoethyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one hydrochloride
CID 51000361
3-(1-aminopropyl)-4-methyl-1H-1,2,4-triazol-5-one
CID 102654945
3-[(dimethylamino)methyl]-4-methyl-1H-1,2,4-triazol-5-one
CID 134470058
5-Methylaminomethyl-2,4-dihydro-[1,2,4]triazol-3-one hydrochloride
CID 135905243
3,4-dimethyl-1H-1,2,4-triazol-5-one;ethane
CID 141822296

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4-methyl-1H-1,2,4-triazol-5-one;hydrochloride?
The IUPAC name of 3-(aminomethyl)-4-methyl-1H-1,2,4-triazol-5-one;hydrochloride (CID 122156630) is 3-(aminomethyl)-4-methyl-1H-1,2,4-triazol-5-one;hydrochloride.
What is the SMILES notation for 3-(aminomethyl)-4-methyl-1H-1,2,4-triazol-5-one;hydrochloride?
The canonical SMILES for 3-(aminomethyl)-4-methyl-1H-1,2,4-triazol-5-one;hydrochloride is Cl.Cn1c(CN)n[nH]c1=O.
What is the InChIKey of 3-(aminomethyl)-4-methyl-1H-1,2,4-triazol-5-one;hydrochloride?
The InChIKey is WSWGDIUEOXNQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4O.ClH/c1-8-3(2-5)6-7-4(8)9;/h2,5H2,1H3,(H,7,9);1H.
What are the key properties of 3-(aminomethyl)-4-methyl-1H-1,2,4-triazol-5-one;hydrochloride?
3-(aminomethyl)-4-methyl-1H-1,2,4-triazol-5-one;hydrochloride has a molecular weight of 164.60 g/mol, XLogP of -1.01, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4-methyl-1H-1,2,4-triazol-5-one;hydrochloride is sourced from PubChem (CID 122156630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).