3-[cyclopropyl(methoxy)methyl]-1,4-dihydro-1,2,4-triazol-5-one

C7H11N3O2 — CID 136965371

IUPAC3-[cyclopropyl(methoxy)methyl]-1,4-dihydro-1,2,4-triazol-5-one
SMILESCOC(c1n[nH]c(=O)[nH]1)C1CC1
InChIInChI=1S/C7H11N3O2/c1-12-5(4-2-3-4)6-8-7(11)10-9-6/h4-5H,2-3H2,1H3,(H2,8,9,10,11)
InChIKeyJLDCYXINFQKZTN-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.20
Rot. Bonds3

About 3-[cyclopropyl(methoxy)methyl]-1,4-dihydro-1,2,4-triazol-5-one

3-[cyclopropyl(methoxy)methyl]-1,4-dihydro-1,2,4-triazol-5-one (PubChem CID 136965371) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 3-[cyclopropyl(methoxy)methyl]-1,4-dihydro-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-[cyclopropyl(methoxy)methyl]-1,4-dihydro-1,2,4-triazol-5-one
PubChem CID136965371
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name3-[cyclopropyl(methoxy)methyl]-1,4-dihydro-1,2,4-triazol-5-one
SMILESCOC(c1n[nH]c(=O)[nH]1)C1CC1
InChIInChI=1S/C7H11N3O2/c1-12-5(4-2-3-4)6-8-7(11)10-9-6/h4-5H,2-3H2,1H3,(H2,8,9,10,11)
InChIKeyJLDCYXINFQKZTN-UHFFFAOYSA-N
XLogP0.20
TPSA70.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-Methoxyethyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136278689
3-(1-Methoxy-2,2-dimethylpropyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136965364
3-(1-Methoxybutyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136965365
3-[Cyclopropyl(ethoxy)methyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136965367
3-(1-Ethoxypropyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136965368
3-(1-Methoxy-2-methylpropyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136965369
3-(1-Ethoxybutyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136965370
3-(1-Ethoxy-2-methylpropyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136965372
3-(1-Methoxypropyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136965373

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(methoxy)methyl]-1,4-dihydro-1,2,4-triazol-5-one?
The IUPAC name of 3-[cyclopropyl(methoxy)methyl]-1,4-dihydro-1,2,4-triazol-5-one (CID 136965371) is 3-[cyclopropyl(methoxy)methyl]-1,4-dihydro-1,2,4-triazol-5-one.
What is the SMILES notation for 3-[cyclopropyl(methoxy)methyl]-1,4-dihydro-1,2,4-triazol-5-one?
The canonical SMILES for 3-[cyclopropyl(methoxy)methyl]-1,4-dihydro-1,2,4-triazol-5-one is COC(c1n[nH]c(=O)[nH]1)C1CC1.
What is the InChIKey of 3-[cyclopropyl(methoxy)methyl]-1,4-dihydro-1,2,4-triazol-5-one?
The InChIKey is JLDCYXINFQKZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-12-5(4-2-3-4)6-8-7(11)10-9-6/h4-5H,2-3H2,1H3,(H2,8,9,10,11).
What are the key properties of 3-[cyclopropyl(methoxy)methyl]-1,4-dihydro-1,2,4-triazol-5-one?
3-[cyclopropyl(methoxy)methyl]-1,4-dihydro-1,2,4-triazol-5-one has a molecular weight of 169.18 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-[cyclopropyl(methoxy)methyl]-1,4-dihydro-1,2,4-triazol-5-one is sourced from PubChem (CID 136965371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).