4-(3-hydroxypropyl)-1H-1,2,4-triazol-5-one

C5H9N3O2 — CID 107410746

IUPAC4-(3-hydroxypropyl)-1H-1,2,4-triazol-5-one
SMILESO=c1[nH]ncn1CCCO
InChIInChI=1S/C5H9N3O2/c9-3-1-2-8-4-6-7-5(8)10/h4,9H,1-3H2,(H,7,10)
InChIKeyDZVOQDAUJSNCOF-UHFFFAOYSA-N
MW143.15 g/mol
LogP-1.05
Rot. Bonds3

About 4-(3-hydroxypropyl)-1H-1,2,4-triazol-5-one

4-(3-hydroxypropyl)-1H-1,2,4-triazol-5-one (PubChem CID 107410746) has the molecular formula C5H9N3O2 and a molecular weight of 143.15 g/mol. Its IUPAC name is 4-(3-hydroxypropyl)-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name4-(3-hydroxypropyl)-1H-1,2,4-triazol-5-one
PubChem CID107410746
Molecular FormulaC5H9N3O2
Molecular Weight143.15 g/mol
Exact Mass143.07
IUPAC Name4-(3-hydroxypropyl)-1H-1,2,4-triazol-5-one
SMILESO=c1[nH]ncn1CCCO
InChIInChI=1S/C5H9N3O2/c9-3-1-2-8-4-6-7-5(8)10/h4,9H,1-3H2,(H,7,10)
InChIKeyDZVOQDAUJSNCOF-UHFFFAOYSA-N
XLogP-1.05
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.15
LogP ≤ 5-1.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(fluoromethyl)-4-(3-hydroxypropyl)-1H-1,2,4-triazol-5-one
CID 154642334
4-(2,2-difluoro-3-hydroxypropyl)-1H-1,2,4-triazol-5-one
CID 106172595
4-(2-hydroxyethyl)-1H-1,2,4-triazol-5-one
CID 107410747
4-[3-(2-hydroxyethoxy)propyl]-1H-1,2,4-triazol-5-one
CID 106304982
4-(1-hydroxybutan-2-yl)-1H-1,2,4-triazol-5-one
CID 107410748
4-(2-hydroxypropyl)-1H-1,2,4-triazol-5-one
CID 107410751
4-(1-hydroxypropan-2-yl)-1H-1,2,4-triazol-5-one
CID 107410754
4-(3-hydroxybutyl)-1H-1,2,4-triazol-5-one
CID 107410774
4-(3-hydroxy-2-methylpropyl)-1H-1,2,4-triazol-5-one
CID 107410775
4-(1,3-dihydroxypropan-2-yl)-1H-1,2,4-triazol-5-one
CID 107410786
4-[(2S)-1-hydroxypropan-2-yl]-1H-1,2,4-triazol-5-one
CID 107410787
4-(3-hydroxycyclobutyl)-1H-1,2,4-triazol-5-one
CID 107410791

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxypropyl)-1H-1,2,4-triazol-5-one?
The IUPAC name of 4-(3-hydroxypropyl)-1H-1,2,4-triazol-5-one (CID 107410746) is 4-(3-hydroxypropyl)-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 4-(3-hydroxypropyl)-1H-1,2,4-triazol-5-one?
The canonical SMILES for 4-(3-hydroxypropyl)-1H-1,2,4-triazol-5-one is O=c1[nH]ncn1CCCO.
What is the InChIKey of 4-(3-hydroxypropyl)-1H-1,2,4-triazol-5-one?
The InChIKey is DZVOQDAUJSNCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O2/c9-3-1-2-8-4-6-7-5(8)10/h4,9H,1-3H2,(H,7,10).
What are the key properties of 4-(3-hydroxypropyl)-1H-1,2,4-triazol-5-one?
4-(3-hydroxypropyl)-1H-1,2,4-triazol-5-one has a molecular weight of 143.15 g/mol, XLogP of -1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxypropyl)-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 107410746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).