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

C8H13N3O2 — CID 136966021

IUPAC2-cyclopropyl-5-(3-hydroxypropyl)-4H-1,2,4-triazol-3-one
SMILESO=c1[nH]c(CCCO)nn1C1CC1
InChIInChI=1S/C8H13N3O2/c12-5-1-2-7-9-8(13)11(10-7)6-3-4-6/h6,12H,1-5H2,(H,9,10,13)
InChIKeyPRLNIMWLYOIURB-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.17
Rot. Bonds4

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

2-cyclopropyl-5-(3-hydroxypropyl)-4H-1,2,4-triazol-3-one (PubChem CID 136966021) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-cyclopropyl-5-(3-hydroxypropyl)-4H-1,2,4-triazol-3-one.

Molecular Properties

Compound Name2-cyclopropyl-5-(3-hydroxypropyl)-4H-1,2,4-triazol-3-one
PubChem CID136966021
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name2-cyclopropyl-5-(3-hydroxypropyl)-4H-1,2,4-triazol-3-one
SMILESO=c1[nH]c(CCCO)nn1C1CC1
InChIInChI=1S/C8H13N3O2/c12-5-1-2-7-9-8(13)11(10-7)6-3-4-6/h6,12H,1-5H2,(H,9,10,13)
InChIKeyPRLNIMWLYOIURB-UHFFFAOYSA-N
XLogP-0.17
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-5-(hydroxymethyl)-4H-1,2,4-triazol-3-one
CID 136965953
5-(3-hydroxypropyl)-2-methyl-4H-1,2,4-triazol-3-one
CID 136965959
2-cyclopropyl-5-(2-hydroxyethyl)-4H-1,2,4-triazol-3-one
CID 136965974
2-ethyl-5-(3-hydroxypropyl)-4H-1,2,4-triazol-3-one
CID 136965981
5-(2-hydroxyethyl)-2-propan-2-yl-4H-1,2,4-triazol-3-one
CID 136965982
2-cyclobutyl-5-(2-hydroxyethyl)-4H-1,2,4-triazol-3-one
CID 136966022
5-(3-hydroxypropyl)-2-propan-2-yl-4H-1,2,4-triazol-3-one
CID 136966033
3-(1-cyclopropyl-5-oxo-4H-1,2,4-triazol-3-yl)propanoic acid
CID 136982049
2-cyclobutyl-5-(3-hydroxypropyl)-4H-1,2,4-triazol-3-one
CID 136982052
2-cyclopentyl-5-(2-hydroxyethyl)-4H-1,2,4-triazol-3-one
CID 136982053
2-cyclopentyl-5-(3-hydroxypropyl)-4H-1,2,4-triazol-3-one
CID 136982169
2-cyclohexyl-5-(3-hydroxypropyl)-4H-1,2,4-triazol-3-one
CID 136999626

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-(3-hydroxypropyl)-4H-1,2,4-triazol-3-one?
The IUPAC name of 2-cyclopropyl-5-(3-hydroxypropyl)-4H-1,2,4-triazol-3-one (CID 136966021) is 2-cyclopropyl-5-(3-hydroxypropyl)-4H-1,2,4-triazol-3-one.
What is the SMILES notation for 2-cyclopropyl-5-(3-hydroxypropyl)-4H-1,2,4-triazol-3-one?
The canonical SMILES for 2-cyclopropyl-5-(3-hydroxypropyl)-4H-1,2,4-triazol-3-one is O=c1[nH]c(CCCO)nn1C1CC1.
What is the InChIKey of 2-cyclopropyl-5-(3-hydroxypropyl)-4H-1,2,4-triazol-3-one?
The InChIKey is PRLNIMWLYOIURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c12-5-1-2-7-9-8(13)11(10-7)6-3-4-6/h6,12H,1-5H2,(H,9,10,13).
What are the key properties of 2-cyclopropyl-5-(3-hydroxypropyl)-4H-1,2,4-triazol-3-one?
2-cyclopropyl-5-(3-hydroxypropyl)-4H-1,2,4-triazol-3-one has a molecular weight of 183.21 g/mol, XLogP of -0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-(3-hydroxypropyl)-4H-1,2,4-triazol-3-one is sourced from PubChem (CID 136966021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).