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

C5H10N4O — CID 51000362

IUPAC3-(2-aminoethyl)-4-methyl-1H-1,2,4-triazol-5-one
SMILESCn1c(CCN)n[nH]c1=O
InChIInChI=1S/C5H10N4O/c1-9-4(2-3-6)7-8-5(9)10/h2-3,6H2,1H3,(H,8,10)
InChIKeyPMZPUCYQYOLUEC-UHFFFAOYSA-N
MW142.16 g/mol
LogP-1.39
Rot. Bonds2

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

3-(2-aminoethyl)-4-methyl-1H-1,2,4-triazol-5-one (PubChem CID 51000362) has the molecular formula C5H10N4O and a molecular weight of 142.16 g/mol. Its IUPAC name is 3-(2-aminoethyl)-4-methyl-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-(2-aminoethyl)-4-methyl-1H-1,2,4-triazol-5-one
PubChem CID51000362
Molecular FormulaC5H10N4O
Molecular Weight142.16 g/mol
Exact Mass142.09
IUPAC Name3-(2-aminoethyl)-4-methyl-1H-1,2,4-triazol-5-one
SMILESCn1c(CCN)n[nH]c1=O
InChIInChI=1S/C5H10N4O/c1-9-4(2-3-6)7-8-5(9)10/h2-3,6H2,1H3,(H,8,10)
InChIKeyPMZPUCYQYOLUEC-UHFFFAOYSA-N
XLogP-1.39
TPSA76.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-1.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-4-methyl-1H-1,2,4-triazol-5-one?
The IUPAC name of 3-(2-aminoethyl)-4-methyl-1H-1,2,4-triazol-5-one (CID 51000362) is 3-(2-aminoethyl)-4-methyl-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 3-(2-aminoethyl)-4-methyl-1H-1,2,4-triazol-5-one?
The canonical SMILES for 3-(2-aminoethyl)-4-methyl-1H-1,2,4-triazol-5-one is Cn1c(CCN)n[nH]c1=O.
What is the InChIKey of 3-(2-aminoethyl)-4-methyl-1H-1,2,4-triazol-5-one?
The InChIKey is PMZPUCYQYOLUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4O/c1-9-4(2-3-6)7-8-5(9)10/h2-3,6H2,1H3,(H,8,10).
What are the key properties of 3-(2-aminoethyl)-4-methyl-1H-1,2,4-triazol-5-one?
3-(2-aminoethyl)-4-methyl-1H-1,2,4-triazol-5-one has a molecular weight of 142.16 g/mol, XLogP of -1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-4-methyl-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 51000362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).