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

C7H11N3O2 — CID 136965974

IUPAC2-cyclopropyl-5-(2-hydroxyethyl)-4H-1,2,4-triazol-3-one
SMILESO=c1[nH]c(CCO)nn1C1CC1
InChIInChI=1S/C7H11N3O2/c11-4-3-6-8-7(12)10(9-6)5-1-2-5/h5,11H,1-4H2,(H,8,9,12)
InChIKeySYPBDEKBACQEFA-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.56
Rot. Bonds3

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

2-cyclopropyl-5-(2-hydroxyethyl)-4H-1,2,4-triazol-3-one (PubChem CID 136965974) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 2-cyclopropyl-5-(2-hydroxyethyl)-4H-1,2,4-triazol-3-one.

Molecular Properties

Compound Name2-cyclopropyl-5-(2-hydroxyethyl)-4H-1,2,4-triazol-3-one
PubChem CID136965974
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name2-cyclopropyl-5-(2-hydroxyethyl)-4H-1,2,4-triazol-3-one
SMILESO=c1[nH]c(CCO)nn1C1CC1
InChIInChI=1S/C7H11N3O2/c11-4-3-6-8-7(12)10(9-6)5-1-2-5/h5,11H,1-4H2,(H,8,9,12)
InChIKeySYPBDEKBACQEFA-UHFFFAOYSA-N
XLogP-0.56
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-hydroxyethyl)-2-methyl-4H-1,2,4-triazol-3-one
CID 136965944
2-cyclopropyl-5-(hydroxymethyl)-4H-1,2,4-triazol-3-one
CID 136965953
2-ethyl-5-(2-hydroxyethyl)-4H-1,2,4-triazol-3-one
CID 136965958
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-(1-cyclopropyl-5-oxo-4H-1,2,4-triazol-3-yl)acetic acid
CID 136966019
2-cyclopropyl-5-(3-hydroxypropyl)-4H-1,2,4-triazol-3-one
CID 136966021
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
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-cyclohexyl-5-(2-hydroxyethyl)-4H-1,2,4-triazol-3-one
CID 136982170

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-(2-hydroxyethyl)-4H-1,2,4-triazol-3-one?
The IUPAC name of 2-cyclopropyl-5-(2-hydroxyethyl)-4H-1,2,4-triazol-3-one (CID 136965974) is 2-cyclopropyl-5-(2-hydroxyethyl)-4H-1,2,4-triazol-3-one.
What is the SMILES notation for 2-cyclopropyl-5-(2-hydroxyethyl)-4H-1,2,4-triazol-3-one?
The canonical SMILES for 2-cyclopropyl-5-(2-hydroxyethyl)-4H-1,2,4-triazol-3-one is O=c1[nH]c(CCO)nn1C1CC1.
What is the InChIKey of 2-cyclopropyl-5-(2-hydroxyethyl)-4H-1,2,4-triazol-3-one?
The InChIKey is SYPBDEKBACQEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c11-4-3-6-8-7(12)10(9-6)5-1-2-5/h5,11H,1-4H2,(H,8,9,12).
What are the key properties of 2-cyclopropyl-5-(2-hydroxyethyl)-4H-1,2,4-triazol-3-one?
2-cyclopropyl-5-(2-hydroxyethyl)-4H-1,2,4-triazol-3-one has a molecular weight of 169.18 g/mol, XLogP of -0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-(2-hydroxyethyl)-4H-1,2,4-triazol-3-one is sourced from PubChem (CID 136965974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).