3-(1-methoxypropyl)-1,4-dihydro-1,2,4-triazol-5-one

C6H11N3O2 — CID 136965373

IUPAC3-(1-methoxypropyl)-1,4-dihydro-1,2,4-triazol-5-one
SMILESCCC(OC)c1n[nH]c(=O)[nH]1
InChIInChI=1S/C6H11N3O2/c1-3-4(11-2)5-7-6(10)9-8-5/h4H,3H2,1-2H3,(H2,7,8,9,10)
InChIKeyDHUAJHUZEBSPSB-UHFFFAOYSA-N
MW157.17 g/mol
LogP0.20
Rot. Bonds3

About 3-(1-methoxypropyl)-1,4-dihydro-1,2,4-triazol-5-one

3-(1-methoxypropyl)-1,4-dihydro-1,2,4-triazol-5-one (PubChem CID 136965373) has the molecular formula C6H11N3O2 and a molecular weight of 157.17 g/mol. Its IUPAC name is 3-(1-methoxypropyl)-1,4-dihydro-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-(1-methoxypropyl)-1,4-dihydro-1,2,4-triazol-5-one
PubChem CID136965373
Molecular FormulaC6H11N3O2
Molecular Weight157.17 g/mol
Exact Mass157.09
IUPAC Name3-(1-methoxypropyl)-1,4-dihydro-1,2,4-triazol-5-one
SMILESCCC(OC)c1n[nH]c(=O)[nH]1
InChIInChI=1S/C6H11N3O2/c1-3-4(11-2)5-7-6(10)9-8-5/h4H,3H2,1-2H3,(H2,7,8,9,10)
InChIKeyDHUAJHUZEBSPSB-UHFFFAOYSA-N
XLogP0.20
TPSA70.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-ethoxybutyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136965370
3-(1-ethoxy-2,2-dimethylpropyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136965374
2-(1-methoxypropyl)-6-oxo-1H-pyrimidine-4-carboxylic acid
CID 165463898
3-[(1S)-1-(methylamino)ethyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 137266426
methyl 2-(1-methoxypropyl)-1H-imidazole-5-carboxylate
CID 116730510
2-(1-methoxypropyl)-1H-pyrimidine-6-thione
CID 106476491
3-[(1R)-1-amino-2,2-dimethylpropyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136746239
3-[(1R)-1-amino-2-hydroxyethyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136854708
2-(1-methoxypropyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475721
3-chloro-5-(1-methoxybutyl)-1H-1,2,4-triazole
CID 116734164
6-tert-butyl-2-(1-methoxypropyl)-1H-pyrimidine-4-thione
CID 106475976
2-(1-methoxybutyl)-4-methyl-1H-pyrimidin-6-one
CID 136997551

Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxypropyl)-1,4-dihydro-1,2,4-triazol-5-one?
The IUPAC name of 3-(1-methoxypropyl)-1,4-dihydro-1,2,4-triazol-5-one (CID 136965373) is 3-(1-methoxypropyl)-1,4-dihydro-1,2,4-triazol-5-one.
What is the SMILES notation for 3-(1-methoxypropyl)-1,4-dihydro-1,2,4-triazol-5-one?
The canonical SMILES for 3-(1-methoxypropyl)-1,4-dihydro-1,2,4-triazol-5-one is CCC(OC)c1n[nH]c(=O)[nH]1.
What is the InChIKey of 3-(1-methoxypropyl)-1,4-dihydro-1,2,4-triazol-5-one?
The InChIKey is DHUAJHUZEBSPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2/c1-3-4(11-2)5-7-6(10)9-8-5/h4H,3H2,1-2H3,(H2,7,8,9,10).
What are the key properties of 3-(1-methoxypropyl)-1,4-dihydro-1,2,4-triazol-5-one?
3-(1-methoxypropyl)-1,4-dihydro-1,2,4-triazol-5-one has a molecular weight of 157.17 g/mol, XLogP of 0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxypropyl)-1,4-dihydro-1,2,4-triazol-5-one is sourced from PubChem (CID 136965373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).