ethane;2-methyl-5-(methylaminomethyl)-4-propan-2-yl-1,2,4-triazol-3-one

C10H22N4O — CID 178109460

IUPACethane;2-methyl-5-(methylaminomethyl)-4-propan-2-yl-1,2,4-triazol-3-one
SMILESCC.CNCc1nn(C)c(=O)n1C(C)C
InChIInChI=1S/C8H16N4O.C2H6/c1-6(2)12-7(5-9-3)10-11(4)8(12)13;1-2/h6,9H,5H2,1-4H3;1-2H3
InChIKeyDRTNXSWDICJZKZ-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.91
Rot. Bonds3

About ethane;2-methyl-5-(methylaminomethyl)-4-propan-2-yl-1,2,4-triazol-3-one

ethane;2-methyl-5-(methylaminomethyl)-4-propan-2-yl-1,2,4-triazol-3-one (PubChem CID 178109460) has the molecular formula C10H22N4O and a molecular weight of 214.31 g/mol. Its IUPAC name is ethane;2-methyl-5-(methylaminomethyl)-4-propan-2-yl-1,2,4-triazol-3-one.

Molecular Properties

Compound Nameethane;2-methyl-5-(methylaminomethyl)-4-propan-2-yl-1,2,4-triazol-3-one
PubChem CID178109460
Molecular FormulaC10H22N4O
Molecular Weight214.31 g/mol
Exact Mass214.18
IUPAC Nameethane;2-methyl-5-(methylaminomethyl)-4-propan-2-yl-1,2,4-triazol-3-one
SMILESCC.CNCc1nn(C)c(=O)n1C(C)C
InChIInChI=1S/C8H16N4O.C2H6/c1-6(2)12-7(5-9-3)10-11(4)8(12)13;1-2/h6,9H,5H2,1-4H3;1-2H3
InChIKeyDRTNXSWDICJZKZ-UHFFFAOYSA-N
XLogP0.91
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 147018723
5-Methyl-2,4-di(propan-2-yl)-1,2,4-triazol-3-one
CID 153166811
4-methyl-3-[(propan-2-ylamino)methyl]-1H-1,2,4-triazol-5-one
CID 164585124
2,4-Dimethyl-5-[[methyl(propan-2-yl)amino]methyl]-1,2,4-triazol-3-one
CID 170127918
2-(Azetidin-3-yl)-4,5-di(propan-2-yl)-1,2,4-triazol-3-one
CID 176773760
5-(Aminomethyl)-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one
CID 178109020
2-Methyl-5-(methylaminomethyl)-4-propan-2-yl-1,2,4-triazol-3-one
CID 178109461
2,5-Dimethyl-4-propan-2-yl-1,2,4-triazol-3-one;ethane
CID 178812935
2-Methyl-5-[(4-methylpiperazin-1-yl)methyl]-4-propan-2-yl-1,2,4-triazol-3-one
CID 178812991
2-Tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66271271
4-ethyl-3-(methylaminomethyl)-1H-1,2,4-triazol-5-one
CID 81479706
4-tert-butyl-3-(methylaminomethyl)-1H-1,2,4-triazol-5-one
CID 81480471

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-5-(methylaminomethyl)-4-propan-2-yl-1,2,4-triazol-3-one?
The IUPAC name of ethane;2-methyl-5-(methylaminomethyl)-4-propan-2-yl-1,2,4-triazol-3-one (CID 178109460) is ethane;2-methyl-5-(methylaminomethyl)-4-propan-2-yl-1,2,4-triazol-3-one.
What is the SMILES notation for ethane;2-methyl-5-(methylaminomethyl)-4-propan-2-yl-1,2,4-triazol-3-one?
The canonical SMILES for ethane;2-methyl-5-(methylaminomethyl)-4-propan-2-yl-1,2,4-triazol-3-one is CC.CNCc1nn(C)c(=O)n1C(C)C.
What is the InChIKey of ethane;2-methyl-5-(methylaminomethyl)-4-propan-2-yl-1,2,4-triazol-3-one?
The InChIKey is DRTNXSWDICJZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O.C2H6/c1-6(2)12-7(5-9-3)10-11(4)8(12)13;1-2/h6,9H,5H2,1-4H3;1-2H3.
What are the key properties of ethane;2-methyl-5-(methylaminomethyl)-4-propan-2-yl-1,2,4-triazol-3-one?
ethane;2-methyl-5-(methylaminomethyl)-4-propan-2-yl-1,2,4-triazol-3-one has a molecular weight of 214.31 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-5-(methylaminomethyl)-4-propan-2-yl-1,2,4-triazol-3-one is sourced from PubChem (CID 178109460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).