3-(ethoxymethyl)-4-methyl-1H-1,2,4-triazol-5-one

C6H11N3O2 — CID 14349660

IUPAC3-(ethoxymethyl)-4-methyl-1H-1,2,4-triazol-5-one
SMILESCCOCc1n[nH]c(=O)n1C
InChIInChI=1S/C6H11N3O2/c1-3-11-4-5-7-8-6(10)9(5)2/h3-4H2,1-2H3,(H,8,10)
InChIKeyCRPOVIBUKVWAFS-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.36
Rot. Bonds3

About 3-(ethoxymethyl)-4-methyl-1H-1,2,4-triazol-5-one

3-(ethoxymethyl)-4-methyl-1H-1,2,4-triazol-5-one (PubChem CID 14349660) has the molecular formula C6H11N3O2 and a molecular weight of 157.17 g/mol. Its IUPAC name is 3-(ethoxymethyl)-4-methyl-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-(ethoxymethyl)-4-methyl-1H-1,2,4-triazol-5-one
PubChem CID14349660
Molecular FormulaC6H11N3O2
Molecular Weight157.17 g/mol
Exact Mass157.09
IUPAC Name3-(ethoxymethyl)-4-methyl-1H-1,2,4-triazol-5-one
SMILESCCOCc1n[nH]c(=O)n1C
InChIInChI=1S/C6H11N3O2/c1-3-11-4-5-7-8-6(10)9(5)2/h3-4H2,1-2H3,(H,8,10)
InChIKeyCRPOVIBUKVWAFS-UHFFFAOYSA-N
XLogP-0.36
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(Hydroxymethyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 57927640
3-(methoxymethyl)-4-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 68235624
5-(Methoxymethyl)-2,4-dimethyl-1,2,4-triazol-3-one
CID 18737993
2-Ethyl-5-(methoxymethyl)-4-methyl-1,2,4-triazol-3-one
CID 20731856
4-Amino-5-(methoxymethyl)-2-methyl-1,2,4-triazol-3-one
CID 22973880
5-(Ethoxymethyl)-2,4-dimethyl-1,2,4-triazol-3-one
CID 22973901
4-Ethyl-5-methoxymethyl-2,4-dihydro[1,2,4]triazol-3-one
CID 57927262
3-(methoxymethyl)-4-propan-2-yl-1H-1,2,4-triazol-5-one
CID 59296989
4-(1-methoxypropan-2-yl)-3-methyl-1H-1,2,4-triazol-5-one
CID 68316448
4-(1-ethoxyethyl)-3-methyl-1H-1,2,4-triazol-5-one
CID 68355363
3-(1-methoxyethyl)-4-methyl-1H-1,2,4-triazol-5-one
CID 134470220
3-(butoxymethyl)-4-ethyl-1H-1,2,4-triazol-5-one
CID 155629374

Frequently Asked Questions

What is the IUPAC name of 3-(ethoxymethyl)-4-methyl-1H-1,2,4-triazol-5-one?
The IUPAC name of 3-(ethoxymethyl)-4-methyl-1H-1,2,4-triazol-5-one (CID 14349660) is 3-(ethoxymethyl)-4-methyl-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 3-(ethoxymethyl)-4-methyl-1H-1,2,4-triazol-5-one?
The canonical SMILES for 3-(ethoxymethyl)-4-methyl-1H-1,2,4-triazol-5-one is CCOCc1n[nH]c(=O)n1C.
What is the InChIKey of 3-(ethoxymethyl)-4-methyl-1H-1,2,4-triazol-5-one?
The InChIKey is CRPOVIBUKVWAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2/c1-3-11-4-5-7-8-6(10)9(5)2/h3-4H2,1-2H3,(H,8,10).
What are the key properties of 3-(ethoxymethyl)-4-methyl-1H-1,2,4-triazol-5-one?
3-(ethoxymethyl)-4-methyl-1H-1,2,4-triazol-5-one has a molecular weight of 157.17 g/mol, XLogP of -0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethyl)-4-methyl-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 14349660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).