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

C8H13N3O2 — CID 126953672

IUPAC4-cyclopropyl-2-(2-hydroxyethyl)-5-methyl-1,2,4-triazol-3-one
SMILESCc1nn(CCO)c(=O)n1C1CC1
InChIInChI=1S/C8H13N3O2/c1-6-9-10(4-5-12)8(13)11(6)7-2-3-7/h7,12H,2-5H2,1H3
InChIKeyWMBFHGFDUMSJLD-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.32
Rot. Bonds3

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

4-cyclopropyl-2-(2-hydroxyethyl)-5-methyl-1,2,4-triazol-3-one (PubChem CID 126953672) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 4-cyclopropyl-2-(2-hydroxyethyl)-5-methyl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-cyclopropyl-2-(2-hydroxyethyl)-5-methyl-1,2,4-triazol-3-one
PubChem CID126953672
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name4-cyclopropyl-2-(2-hydroxyethyl)-5-methyl-1,2,4-triazol-3-one
SMILESCc1nn(CCO)c(=O)n1C1CC1
InChIInChI=1S/C8H13N3O2/c1-6-9-10(4-5-12)8(13)11(6)7-2-3-7/h7,12H,2-5H2,1H3
InChIKeyWMBFHGFDUMSJLD-UHFFFAOYSA-N
XLogP-0.32
TPSA60.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-cyclopropyl-2-(2-hydroxyethyl)-5-methyl-1,2,4-triazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-[Ethyl(propyl)amino]-2-fluoropropyl]-4-(2-hydroxyethyl)-5-methyl-1,2,4-triazol-3-one
CID 70989622
5-(Fluoromethyl)-4-(2-hydroxyethyl)-2-propan-2-yl-1,2,4-triazol-3-one
CID 154642296
4-(2,2-Difluoroethyl)-5-(hydroxymethyl)-2-propan-2-yl-1,2,4-triazol-3-one
CID 154993471
2-Butan-2-yl-5-(fluoromethyl)-4-(2-hydroxyethyl)-1,2,4-triazol-3-one
CID 160898501
4-Cyclopropyl-5-(methoxymethyl)-2-methyl-1,2,4-triazol-3-one
CID 18737979
4-Cyclopropyl-2-ethyl-5-(methoxymethyl)-1,2,4-triazol-3-one
CID 20731867
4-Cyclopropyl-5-(ethoxymethyl)-2-methyl-1,2,4-triazol-3-one
CID 22973883
4-Ethyl-5-(hydroxymethyl)-2-propan-2-yl-1,2,4-triazol-3-one
CID 154642132
5-(Hydroxymethyl)-2-propan-2-yl-4-propyl-1,2,4-triazol-3-one
CID 154642315
2,4-Diethyl-5-(hydroxymethyl)-1,2,4-triazol-3-one
CID 154642321
2-Tert-butyl-4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-one
CID 155223163
4-Cyclopropyl-5-(hydroxymethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 156527932

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-(2-hydroxyethyl)-5-methyl-1,2,4-triazol-3-one?
The IUPAC name of 4-cyclopropyl-2-(2-hydroxyethyl)-5-methyl-1,2,4-triazol-3-one (CID 126953672) is 4-cyclopropyl-2-(2-hydroxyethyl)-5-methyl-1,2,4-triazol-3-one.
What is the SMILES notation for 4-cyclopropyl-2-(2-hydroxyethyl)-5-methyl-1,2,4-triazol-3-one?
The canonical SMILES for 4-cyclopropyl-2-(2-hydroxyethyl)-5-methyl-1,2,4-triazol-3-one is Cc1nn(CCO)c(=O)n1C1CC1.
What is the InChIKey of 4-cyclopropyl-2-(2-hydroxyethyl)-5-methyl-1,2,4-triazol-3-one?
The InChIKey is WMBFHGFDUMSJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-6-9-10(4-5-12)8(13)11(6)7-2-3-7/h7,12H,2-5H2,1H3.
What are the key properties of 4-cyclopropyl-2-(2-hydroxyethyl)-5-methyl-1,2,4-triazol-3-one?
4-cyclopropyl-2-(2-hydroxyethyl)-5-methyl-1,2,4-triazol-3-one has a molecular weight of 183.21 g/mol, XLogP of -0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-(2-hydroxyethyl)-5-methyl-1,2,4-triazol-3-one is sourced from PubChem (CID 126953672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).