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

C5H11ClN4O — CID 167725897

IUPAC5-(aminomethyl)-2,4-dimethyl-1,2,4-triazol-3-one;hydrochloride
SMILESCl.Cn1nc(CN)n(C)c1=O
InChIInChI=1S/C5H10N4O.ClH/c1-8-4(3-6)7-9(2)5(8)10;/h3,6H2,1-2H3;1H
InChIKeyWGIDRDYUMLWTCJ-UHFFFAOYSA-N
MW178.62 g/mol
LogP-1.00
Rot. Bonds1

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

5-(aminomethyl)-2,4-dimethyl-1,2,4-triazol-3-one;hydrochloride (PubChem CID 167725897) has the molecular formula C5H11ClN4O and a molecular weight of 178.62 g/mol. Its IUPAC name is 5-(aminomethyl)-2,4-dimethyl-1,2,4-triazol-3-one;hydrochloride.

Molecular Properties

Compound Name5-(aminomethyl)-2,4-dimethyl-1,2,4-triazol-3-one;hydrochloride
PubChem CID167725897
Molecular FormulaC5H11ClN4O
Molecular Weight178.62 g/mol
Exact Mass178.06
IUPAC Name5-(aminomethyl)-2,4-dimethyl-1,2,4-triazol-3-one;hydrochloride
SMILESCl.Cn1nc(CN)n(C)c1=O
InChIInChI=1S/C5H10N4O.ClH/c1-8-4(3-6)7-9(2)5(8)10;/h3,6H2,1-2H3;1H
InChIKeyWGIDRDYUMLWTCJ-UHFFFAOYSA-N
XLogP-1.00
TPSA65.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.62
LogP ≤ 5-1.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-2H,3H,5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyrazin-3-one hydrochloride
CID 132344533
3-(aminomethyl)-4-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one hydrochloride
CID 122156630
3-(aminomethyl)-4-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 81908907
3-[(dimethylamino)methyl]-4-methyl-1H-1,2,4-triazol-5-one
CID 134470058
5-(aminomethyl)-2-methyl-4H-1,2,4-triazol-3-one
CID 136316459
ethane;4-methyl-3-(methylaminomethyl)-1H-1,2,4-triazol-5-one
CID 164585055
3-[(Ethylamino)methyl]-4-methyl-4,5-dihydro-1h-1,2,4-triazol-5-one
CID 164656960
5-(Aminomethyl)-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one
CID 178109020
3-(aminomethyl)-1,4-dimethyl-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 55284100
4-ethyl-3-(methylaminomethyl)-1H-1,2,4-triazol-5-one
CID 81479706
3-(aminomethyl)-4-ethyl-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 81487918
4-methyl-3-(methylaminomethyl)-1H-1,2,4-triazol-5-one
CID 81908251

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2,4-dimethyl-1,2,4-triazol-3-one;hydrochloride?
The IUPAC name of 5-(aminomethyl)-2,4-dimethyl-1,2,4-triazol-3-one;hydrochloride (CID 167725897) is 5-(aminomethyl)-2,4-dimethyl-1,2,4-triazol-3-one;hydrochloride.
What is the SMILES notation for 5-(aminomethyl)-2,4-dimethyl-1,2,4-triazol-3-one;hydrochloride?
The canonical SMILES for 5-(aminomethyl)-2,4-dimethyl-1,2,4-triazol-3-one;hydrochloride is Cl.Cn1nc(CN)n(C)c1=O.
What is the InChIKey of 5-(aminomethyl)-2,4-dimethyl-1,2,4-triazol-3-one;hydrochloride?
The InChIKey is WGIDRDYUMLWTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4O.ClH/c1-8-4(3-6)7-9(2)5(8)10;/h3,6H2,1-2H3;1H.
What are the key properties of 5-(aminomethyl)-2,4-dimethyl-1,2,4-triazol-3-one;hydrochloride?
5-(aminomethyl)-2,4-dimethyl-1,2,4-triazol-3-one;hydrochloride has a molecular weight of 178.62 g/mol, XLogP of -1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2,4-dimethyl-1,2,4-triazol-3-one;hydrochloride is sourced from PubChem (CID 167725897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).