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

C8H15N3O2 — CID 178164905

IUPAC4-ethyl-5-(2-hydroxypropyl)-2-methyl-1,2,4-triazol-3-one
SMILESCCn1c(CC(C)O)nn(C)c1=O
InChIInChI=1S/C8H15N3O2/c1-4-11-7(5-6(2)12)9-10(3)8(11)13/h6,12H,4-5H2,1-3H3
InChIKeyMUJQQPRWMWVTPB-UHFFFAOYSA-N
MW185.23 g/mol
LogP-0.47
Rot. Bonds3

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

4-ethyl-5-(2-hydroxypropyl)-2-methyl-1,2,4-triazol-3-one (PubChem CID 178164905) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is 4-ethyl-5-(2-hydroxypropyl)-2-methyl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-ethyl-5-(2-hydroxypropyl)-2-methyl-1,2,4-triazol-3-one
PubChem CID178164905
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name4-ethyl-5-(2-hydroxypropyl)-2-methyl-1,2,4-triazol-3-one
SMILESCCn1c(CC(C)O)nn(C)c1=O
InChIInChI=1S/C8H15N3O2/c1-4-11-7(5-6(2)12)9-10(3)8(11)13/h6,12H,4-5H2,1-3H3
InChIKeyMUJQQPRWMWVTPB-UHFFFAOYSA-N
XLogP-0.47
TPSA60.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Ethyl-5-(3-hydroxypropyl)-2-methyl-1,2,4-triazol-3-one
CID 57927423
Ethane;5-ethyl-4-(1-hydroxypropyl)-2-methyl-1,2,4-triazol-3-one
CID 141816860
2-(3-Hydroxypropyl)-4,5-dimethyl-1,2,4-triazol-3-one
CID 143847984
4-Ethyl-5-(1-hydroxyethyl)-2-methyl-1,2,4-triazol-3-one
CID 154642351
2-(3-Hydroxycyclobutyl)-4,5-di(propan-2-yl)-1,2,4-triazol-3-one
CID 176773804
5-(2-Hydroxypropyl)-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one
CID 178108825
Ethane;5-(2-hydroxypropyl)-2,4-dimethyl-1,2,4-triazol-3-one
CID 178109069
5-(2-Hydroxypropyl)-2,4-dimethyl-1,2,4-triazol-3-one
CID 178109070
4-[(2R)-butan-2-yl]-5-(2-hydroxypropyl)-2-methyl-3H-1,2,4-triazol-3-ol
CID 178164367
5-(2-Hydroxypropyl)-2-methyl-4-(1-sulfanylethyl)-1,2,4-triazol-3-one
CID 178813926
2-(3-Hydroxybutyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62935616
5-Ethyl-4-(1-hydroxypropyl)-2-methyl-1,2,4-triazol-3-one
CID 141816861

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-(2-hydroxypropyl)-2-methyl-1,2,4-triazol-3-one?
The IUPAC name of 4-ethyl-5-(2-hydroxypropyl)-2-methyl-1,2,4-triazol-3-one (CID 178164905) is 4-ethyl-5-(2-hydroxypropyl)-2-methyl-1,2,4-triazol-3-one.
What is the SMILES notation for 4-ethyl-5-(2-hydroxypropyl)-2-methyl-1,2,4-triazol-3-one?
The canonical SMILES for 4-ethyl-5-(2-hydroxypropyl)-2-methyl-1,2,4-triazol-3-one is CCn1c(CC(C)O)nn(C)c1=O.
What is the InChIKey of 4-ethyl-5-(2-hydroxypropyl)-2-methyl-1,2,4-triazol-3-one?
The InChIKey is MUJQQPRWMWVTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-4-11-7(5-6(2)12)9-10(3)8(11)13/h6,12H,4-5H2,1-3H3.
What are the key properties of 4-ethyl-5-(2-hydroxypropyl)-2-methyl-1,2,4-triazol-3-one?
4-ethyl-5-(2-hydroxypropyl)-2-methyl-1,2,4-triazol-3-one has a molecular weight of 185.23 g/mol, XLogP of -0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-(2-hydroxypropyl)-2-methyl-1,2,4-triazol-3-one is sourced from PubChem (CID 178164905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).