3-[(1R)-1-aminoethyl]-4-methyl-1H-1,2,4-triazol-5-one

C5H10N4O — CID 124571201

IUPAC3-[(1R)-1-aminoethyl]-4-methyl-1H-1,2,4-triazol-5-one
SMILESC[C@@H](N)c1n[nH]c(=O)n1C
InChIInChI=1S/C5H10N4O/c1-3(6)4-7-8-5(10)9(4)2/h3H,6H2,1-2H3,(H,8,10)/t3-/m1/s1
InChIKeyDTRBUPYMJCJJPE-GSVOUGTGSA-N
MW142.16 g/mol
LogP-0.87
Rot. Bonds1

About 3-[(1R)-1-aminoethyl]-4-methyl-1H-1,2,4-triazol-5-one

3-[(1R)-1-aminoethyl]-4-methyl-1H-1,2,4-triazol-5-one (PubChem CID 124571201) has the molecular formula C5H10N4O and a molecular weight of 142.16 g/mol. Its IUPAC name is 3-[(1R)-1-aminoethyl]-4-methyl-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-[(1R)-1-aminoethyl]-4-methyl-1H-1,2,4-triazol-5-one
PubChem CID124571201
Molecular FormulaC5H10N4O
Molecular Weight142.16 g/mol
Exact Mass142.09
IUPAC Name3-[(1R)-1-aminoethyl]-4-methyl-1H-1,2,4-triazol-5-one
SMILESC[C@@H](N)c1n[nH]c(=O)n1C
InChIInChI=1S/C5H10N4O/c1-3(6)4-7-8-5(10)9(4)2/h3H,6H2,1-2H3,(H,8,10)/t3-/m1/s1
InChIKeyDTRBUPYMJCJJPE-GSVOUGTGSA-N
XLogP-0.87
TPSA76.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1S)-1-amino-3-methylbutyl]-4-methyl-1H-1,2,4-triazol-5-one
CID 102655181
3-(1-aminoethyl)-4-(2-chlorophenyl)-1H-1,2,4-triazol-5-one
CID 81480263
3-(3-aminobutan-2-ylsulfanyl)-4-methyl-1H-1,2,4-triazol-5-one
CID 64634355
3-(1-aminoethyl)-4-(3-fluorophenyl)-1H-1,2,4-triazol-5-one
CID 81480456
4-methyl-3-propan-2-yloxy-1H-1,2,4-triazol-5-one
CID 15790263
tert-butyl N-[(1R)-1-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]carbamate
CID 134470223
3-[(1S,2S)-1-amino-2-methylbutyl]-4-propyl-1H-1,2,4-triazol-5-one
CID 102655154
3,4-di(propan-2-yl)-1H-1,2,4-triazol-5-one
CID 158551447
3,4-dimethyl-1H-1,2,4-triazol-5-one;molecular iodine
CID 159834049
8-(1-aminoethyl)-3,7-dimethylpurine-2,6-dione
CID 82463947
3-[4-[(1S)-1-aminoethyl]-2-chlorophenyl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one
CID 78939006
3-[4-(1-aminoethyl)-2-chlorophenyl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one
CID 55131511

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-aminoethyl]-4-methyl-1H-1,2,4-triazol-5-one?
The IUPAC name of 3-[(1R)-1-aminoethyl]-4-methyl-1H-1,2,4-triazol-5-one (CID 124571201) is 3-[(1R)-1-aminoethyl]-4-methyl-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 3-[(1R)-1-aminoethyl]-4-methyl-1H-1,2,4-triazol-5-one?
The canonical SMILES for 3-[(1R)-1-aminoethyl]-4-methyl-1H-1,2,4-triazol-5-one is C[C@@H](N)c1n[nH]c(=O)n1C.
What is the InChIKey of 3-[(1R)-1-aminoethyl]-4-methyl-1H-1,2,4-triazol-5-one?
The InChIKey is DTRBUPYMJCJJPE-GSVOUGTGSA-N. The full InChI is InChI=1S/C5H10N4O/c1-3(6)4-7-8-5(10)9(4)2/h3H,6H2,1-2H3,(H,8,10)/t3-/m1/s1.
What are the key properties of 3-[(1R)-1-aminoethyl]-4-methyl-1H-1,2,4-triazol-5-one?
3-[(1R)-1-aminoethyl]-4-methyl-1H-1,2,4-triazol-5-one has a molecular weight of 142.16 g/mol, XLogP of -0.87, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-aminoethyl]-4-methyl-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 124571201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).