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

C6H9N3O2 — CID 136965953

IUPAC2-cyclopropyl-5-(hydroxymethyl)-4H-1,2,4-triazol-3-one
SMILESO=c1[nH]c(CO)nn1C1CC1
InChIInChI=1S/C6H9N3O2/c10-3-5-7-6(11)9(8-5)4-1-2-4/h4,10H,1-3H2,(H,7,8,11)
InChIKeyBEZZIFQUMSPHLJ-UHFFFAOYSA-N
MW155.16 g/mol
LogP-0.60
Rot. Bonds2

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

2-cyclopropyl-5-(hydroxymethyl)-4H-1,2,4-triazol-3-one (PubChem CID 136965953) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is 2-cyclopropyl-5-(hydroxymethyl)-4H-1,2,4-triazol-3-one.

Molecular Properties

Compound Name2-cyclopropyl-5-(hydroxymethyl)-4H-1,2,4-triazol-3-one
PubChem CID136965953
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Name2-cyclopropyl-5-(hydroxymethyl)-4H-1,2,4-triazol-3-one
SMILESO=c1[nH]c(CO)nn1C1CC1
InChIInChI=1S/C6H9N3O2/c10-3-5-7-6(11)9(8-5)4-1-2-4/h4,10H,1-3H2,(H,7,8,11)
InChIKeyBEZZIFQUMSPHLJ-UHFFFAOYSA-N
XLogP-0.60
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-5-(hydroxymethyl)-4H-1,2,4-triazol-3-one
CID 136965942
2-(2-hydroxyethyl)-5-methyl-4H-1,2,4-triazol-3-one
CID 136329547
5-(hydroxymethyl)-2-propan-2-yl-4H-1,2,4-triazol-3-one
CID 136965957
2-cyclobutyl-5-(hydroxymethyl)-4H-1,2,4-triazol-3-one
CID 136965973
2-cyclopropyl-5-(2-hydroxyethyl)-4H-1,2,4-triazol-3-one
CID 136965974
5-(2-hydroxyethyl)-2-propan-2-yl-4H-1,2,4-triazol-3-one
CID 136965982
2-cyclopentyl-5-(hydroxymethyl)-4H-1,2,4-triazol-3-one
CID 136966020
2-cyclopropyl-5-(3-hydroxypropyl)-4H-1,2,4-triazol-3-one
CID 136966021
2-cyclohexyl-5-(hydroxymethyl)-4H-1,2,4-triazol-3-one
CID 136982051

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-(hydroxymethyl)-4H-1,2,4-triazol-3-one?
The IUPAC name of 2-cyclopropyl-5-(hydroxymethyl)-4H-1,2,4-triazol-3-one (CID 136965953) is 2-cyclopropyl-5-(hydroxymethyl)-4H-1,2,4-triazol-3-one.
What is the SMILES notation for 2-cyclopropyl-5-(hydroxymethyl)-4H-1,2,4-triazol-3-one?
The canonical SMILES for 2-cyclopropyl-5-(hydroxymethyl)-4H-1,2,4-triazol-3-one is O=c1[nH]c(CO)nn1C1CC1.
What is the InChIKey of 2-cyclopropyl-5-(hydroxymethyl)-4H-1,2,4-triazol-3-one?
The InChIKey is BEZZIFQUMSPHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c10-3-5-7-6(11)9(8-5)4-1-2-4/h4,10H,1-3H2,(H,7,8,11).
What are the key properties of 2-cyclopropyl-5-(hydroxymethyl)-4H-1,2,4-triazol-3-one?
2-cyclopropyl-5-(hydroxymethyl)-4H-1,2,4-triazol-3-one has a molecular weight of 155.16 g/mol, XLogP of -0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-(hydroxymethyl)-4H-1,2,4-triazol-3-one is sourced from PubChem (CID 136965953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).