4-(methylamino)-3-propan-2-yl-3H-1,2,4-triazol-5-one

C6H12N4O — CID 67715400

IUPAC4-(methylamino)-3-propan-2-yl-3H-1,2,4-triazol-5-one
SMILESCNN1C(=O)N=NC1C(C)C
InChIInChI=1S/C6H12N4O/c1-4(2)5-8-9-6(11)10(5)7-3/h4-5,7H,1-3H3
InChIKeyMNCWRBPQXFPKEO-UHFFFAOYSA-N
MW156.19 g/mol
LogP0.99
Rot. Bonds2

About 4-(methylamino)-3-propan-2-yl-3H-1,2,4-triazol-5-one

4-(methylamino)-3-propan-2-yl-3H-1,2,4-triazol-5-one (PubChem CID 67715400) has the molecular formula C6H12N4O and a molecular weight of 156.19 g/mol. Its IUPAC name is 4-(methylamino)-3-propan-2-yl-3H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name4-(methylamino)-3-propan-2-yl-3H-1,2,4-triazol-5-one
PubChem CID67715400
Molecular FormulaC6H12N4O
Molecular Weight156.19 g/mol
Exact Mass156.10
IUPAC Name4-(methylamino)-3-propan-2-yl-3H-1,2,4-triazol-5-one
SMILESCNN1C(=O)N=NC1C(C)C
InChIInChI=1S/C6H12N4O/c1-4(2)5-8-9-6(11)10(5)7-3/h4-5,7H,1-3H3
InChIKeyMNCWRBPQXFPKEO-UHFFFAOYSA-N
XLogP0.99
TPSA57.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4-(methylamino)-3H-1,2,4-triazol-5-one
CID 172777142
4-methyl-3-propan-2-yl-3H-1,2,4-triazole-5-thione
CID 170921775
2-propan-2-yl-2H-1,3,4-thiadiazol-5-one
CID 170922796
(5R)-5-methyl-1-(methylamino)pyrrolidin-2-one
CID 148786842
4-amino-6-methyl-5,6-dihydro-1,2,4-triazin-3-one
CID 45078795
(3R)-6-(4-fluorophenyl)-4-hydroxy-3-propan-2-yl-3H-1,2,4-triazine
CID 95988113
(5R)-5-ethyl-1-(methylamino)pyrrolidin-2-one
CID 163460023
2-methyl-5-propan-2-ylimidazolidin-4-one
CID 55287744
3-ethyl-1-methyl-4-propan-2-ylpyrrolidin-2-one
CID 172538095
3-[(1S)-1-(methylamino)ethyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 137266426
1,3-dichloro-5-propan-2-ylimidazolidine-2,4-dione
CID 88844619
2-amino-1-(methylamino)-2,3-dihydropteridin-4-one
CID 141496600

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-3-propan-2-yl-3H-1,2,4-triazol-5-one?
The IUPAC name of 4-(methylamino)-3-propan-2-yl-3H-1,2,4-triazol-5-one (CID 67715400) is 4-(methylamino)-3-propan-2-yl-3H-1,2,4-triazol-5-one.
What is the SMILES notation for 4-(methylamino)-3-propan-2-yl-3H-1,2,4-triazol-5-one?
The canonical SMILES for 4-(methylamino)-3-propan-2-yl-3H-1,2,4-triazol-5-one is CNN1C(=O)N=NC1C(C)C.
What is the InChIKey of 4-(methylamino)-3-propan-2-yl-3H-1,2,4-triazol-5-one?
The InChIKey is MNCWRBPQXFPKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O/c1-4(2)5-8-9-6(11)10(5)7-3/h4-5,7H,1-3H3.
What are the key properties of 4-(methylamino)-3-propan-2-yl-3H-1,2,4-triazol-5-one?
4-(methylamino)-3-propan-2-yl-3H-1,2,4-triazol-5-one has a molecular weight of 156.19 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-3-propan-2-yl-3H-1,2,4-triazol-5-one is sourced from PubChem (CID 67715400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).