2,5-dimethyl-4-(methylamino)-1,2,4-triazol-3-one;molecular hydrogen

C5H12N4O — CID 158552837

IUPAC2,5-dimethyl-4-(methylamino)-1,2,4-triazol-3-one;molecular hydrogen
SMILESCNn1c(C)nn(C)c1=O.[H][H]
InChIInChI=1S/C5H10N4O.H2/c1-4-7-8(3)5(10)9(4)6-2;/h6H,1-3H3;1H
InChIKeyHPXWMPHYYDFQOJ-UHFFFAOYSA-N
MW144.18 g/mol
LogP-0.69
Rot. Bonds1

About 2,5-dimethyl-4-(methylamino)-1,2,4-triazol-3-one;molecular hydrogen

2,5-dimethyl-4-(methylamino)-1,2,4-triazol-3-one;molecular hydrogen (PubChem CID 158552837) has the molecular formula C5H12N4O and a molecular weight of 144.18 g/mol. Its IUPAC name is 2,5-dimethyl-4-(methylamino)-1,2,4-triazol-3-one;molecular hydrogen.

Molecular Properties

Compound Name2,5-dimethyl-4-(methylamino)-1,2,4-triazol-3-one;molecular hydrogen
PubChem CID158552837
Molecular FormulaC5H12N4O
Molecular Weight144.18 g/mol
Exact Mass144.10
IUPAC Name2,5-dimethyl-4-(methylamino)-1,2,4-triazol-3-one;molecular hydrogen
SMILESCNn1c(C)nn(C)c1=O.[H][H]
InChIInChI=1S/C5H10N4O.H2/c1-4-7-8(3)5(10)9(4)6-2;/h6H,1-3H3;1H
InChIKeyHPXWMPHYYDFQOJ-UHFFFAOYSA-N
XLogP-0.69
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.18
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-4-(methylamino)-1H-1,2,4-triazol-5-one
CID 384496
1,3-Dimethyl-4-amino-4,5(1H)-dihydro-1,2,4-triazole-5-one
CID 581773
3-methyl-4-[(3-methyl-5-oxo-1H-1,2,4-triazol-4-yl)methyl]-1H-1,2,4-triazol-5-one
CID 2436971
3-(aminomethyl)-4-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 81908907
2-Methyl-4-(methylamino)-5-(trifluoromethyl)-1,2,4-triazol-3-one
CID 147826587
3-ethyl-4-(methylamino)-1H-1,2,4-triazol-5-one
CID 14801431
2,5-Dimethyl-4-(methylamino)-1,2,4-triazol-3-one
CID 22091016
4-(dimethylamino)-3-methyl-1H-1,2,4-triazol-5-one
CID 22908165
4-(ethylamino)-3-methyl-1H-1,2,4-triazol-5-one
CID 22908169
4-(Dimethylamino)-2,5-dimethyl-1,2,4-triazol-3-one
CID 22973889
4-Amino-5-methyl-2-propan-2-yl-1,2,4-triazol-3-one
CID 57884138
2-Amino-4,5-dimethyl-1,2,4-triazol-3-one
CID 67610517

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-(methylamino)-1,2,4-triazol-3-one;molecular hydrogen?
The IUPAC name of 2,5-dimethyl-4-(methylamino)-1,2,4-triazol-3-one;molecular hydrogen (CID 158552837) is 2,5-dimethyl-4-(methylamino)-1,2,4-triazol-3-one;molecular hydrogen.
What is the SMILES notation for 2,5-dimethyl-4-(methylamino)-1,2,4-triazol-3-one;molecular hydrogen?
The canonical SMILES for 2,5-dimethyl-4-(methylamino)-1,2,4-triazol-3-one;molecular hydrogen is CNn1c(C)nn(C)c1=O.[H][H].
What is the InChIKey of 2,5-dimethyl-4-(methylamino)-1,2,4-triazol-3-one;molecular hydrogen?
The InChIKey is HPXWMPHYYDFQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4O.H2/c1-4-7-8(3)5(10)9(4)6-2;/h6H,1-3H3;1H.
What are the key properties of 2,5-dimethyl-4-(methylamino)-1,2,4-triazol-3-one;molecular hydrogen?
2,5-dimethyl-4-(methylamino)-1,2,4-triazol-3-one;molecular hydrogen has a molecular weight of 144.18 g/mol, XLogP of -0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-(methylamino)-1,2,4-triazol-3-one;molecular hydrogen is sourced from PubChem (CID 158552837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).