4-amino-5-(methoxymethyl)-2-methyl-1,2,4-triazol-3-one

C5H10N4O2 — CID 22973880

IUPAC4-amino-5-(methoxymethyl)-2-methyl-1,2,4-triazol-3-one
SMILESCOCc1nn(C)c(=O)n1N
InChIInChI=1S/C5H10N4O2/c1-8-5(10)9(6)4(7-8)3-11-2/h3,6H2,1-2H3
InChIKeyXZLFCHHEKASLPL-UHFFFAOYSA-N
MW158.16 g/mol
LogP-1.56
Rot. Bonds2

About 4-amino-5-(methoxymethyl)-2-methyl-1,2,4-triazol-3-one

4-amino-5-(methoxymethyl)-2-methyl-1,2,4-triazol-3-one (PubChem CID 22973880) has the molecular formula C5H10N4O2 and a molecular weight of 158.16 g/mol. Its IUPAC name is 4-amino-5-(methoxymethyl)-2-methyl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-amino-5-(methoxymethyl)-2-methyl-1,2,4-triazol-3-one
PubChem CID22973880
Molecular FormulaC5H10N4O2
Molecular Weight158.16 g/mol
Exact Mass158.08
IUPAC Name4-amino-5-(methoxymethyl)-2-methyl-1,2,4-triazol-3-one
SMILESCOCc1nn(C)c(=O)n1N
InChIInChI=1S/C5H10N4O2/c1-8-5(10)9(6)4(7-8)3-11-2/h3,6H2,1-2H3
InChIKeyXZLFCHHEKASLPL-UHFFFAOYSA-N
XLogP-1.56
TPSA75.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 5-1.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(methoxymethyl)-2-methyl-1,2,4-triazol-3-one?
The IUPAC name of 4-amino-5-(methoxymethyl)-2-methyl-1,2,4-triazol-3-one (CID 22973880) is 4-amino-5-(methoxymethyl)-2-methyl-1,2,4-triazol-3-one.
What is the SMILES notation for 4-amino-5-(methoxymethyl)-2-methyl-1,2,4-triazol-3-one?
The canonical SMILES for 4-amino-5-(methoxymethyl)-2-methyl-1,2,4-triazol-3-one is COCc1nn(C)c(=O)n1N.
What is the InChIKey of 4-amino-5-(methoxymethyl)-2-methyl-1,2,4-triazol-3-one?
The InChIKey is XZLFCHHEKASLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4O2/c1-8-5(10)9(6)4(7-8)3-11-2/h3,6H2,1-2H3.
What are the key properties of 4-amino-5-(methoxymethyl)-2-methyl-1,2,4-triazol-3-one?
4-amino-5-(methoxymethyl)-2-methyl-1,2,4-triazol-3-one has a molecular weight of 158.16 g/mol, XLogP of -1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(methoxymethyl)-2-methyl-1,2,4-triazol-3-one is sourced from PubChem (CID 22973880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).