4-[2-(4-aminopyrazol-1-yl)ethyl]-1H-1,2,4-triazol-5-one

C7H10N6O — CID 107410165

IUPAC4-[2-(4-aminopyrazol-1-yl)ethyl]-1H-1,2,4-triazol-5-one
SMILESNc1cnn(CCn2cn[nH]c2=O)c1
InChIInChI=1S/C7H10N6O/c8-6-3-10-13(4-6)2-1-12-5-9-11-7(12)14/h3-5H,1-2,8H2,(H,11,14)
InChIKeyNMYPDDYDIBXWSL-UHFFFAOYSA-N
MW194.20 g/mol
LogP-0.95
Rot. Bonds3

About 4-[2-(4-aminopyrazol-1-yl)ethyl]-1H-1,2,4-triazol-5-one

4-[2-(4-aminopyrazol-1-yl)ethyl]-1H-1,2,4-triazol-5-one (PubChem CID 107410165) has the molecular formula C7H10N6O and a molecular weight of 194.20 g/mol. Its IUPAC name is 4-[2-(4-aminopyrazol-1-yl)ethyl]-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name4-[2-(4-aminopyrazol-1-yl)ethyl]-1H-1,2,4-triazol-5-one
PubChem CID107410165
Molecular FormulaC7H10N6O
Molecular Weight194.20 g/mol
Exact Mass194.09
IUPAC Name4-[2-(4-aminopyrazol-1-yl)ethyl]-1H-1,2,4-triazol-5-one
SMILESNc1cnn(CCn2cn[nH]c2=O)c1
InChIInChI=1S/C7H10N6O/c8-6-3-10-13(4-6)2-1-12-5-9-11-7(12)14/h3-5H,1-2,8H2,(H,11,14)
InChIKeyNMYPDDYDIBXWSL-UHFFFAOYSA-N
XLogP-0.95
TPSA94.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-(4-aminopyrazol-1-yl)ethyl]pyrimidin-4-one
CID 63769679
1-[2-(4-aminopyrazol-1-yl)ethyl]-3-bromopyridin-2-one
CID 114760038
4-(3-aminopropyl)-1H-1,2,4-triazol-5-one
CID 83679924
1-[2-(4-chloropyrazol-1-yl)ethyl]pyrazol-4-amine
CID 62139555
3-[2-(4-aminopyrazol-1-yl)ethyl]-2H-phthalazine-1,4-dione
CID 62136994
2-[2-(4-aminopyrazol-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 55039444
1-(2-indol-1-ylethyl)pyrazol-4-amine
CID 62138266
4-(5-oxo-1H-1,2,4-triazol-4-yl)butanethioamide
CID 107410514
1-(2-ethoxyethyl)pyrazol-4-amine
CID 43457185
2-[2-(4-aminopyrazol-1-yl)ethyl]-5-piperidin-1-ylpyridazin-3-one
CID 114393541
3-[2-(4-aminopyrazol-1-yl)ethyl]-5-ethyl-5-methylimidazolidine-2,4-dione
CID 55039443
1-[2-(2-propan-2-ylimidazol-1-yl)ethyl]pyrazol-4-amine
CID 62137892

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-aminopyrazol-1-yl)ethyl]-1H-1,2,4-triazol-5-one?
The IUPAC name of 4-[2-(4-aminopyrazol-1-yl)ethyl]-1H-1,2,4-triazol-5-one (CID 107410165) is 4-[2-(4-aminopyrazol-1-yl)ethyl]-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 4-[2-(4-aminopyrazol-1-yl)ethyl]-1H-1,2,4-triazol-5-one?
The canonical SMILES for 4-[2-(4-aminopyrazol-1-yl)ethyl]-1H-1,2,4-triazol-5-one is Nc1cnn(CCn2cn[nH]c2=O)c1.
What is the InChIKey of 4-[2-(4-aminopyrazol-1-yl)ethyl]-1H-1,2,4-triazol-5-one?
The InChIKey is NMYPDDYDIBXWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6O/c8-6-3-10-13(4-6)2-1-12-5-9-11-7(12)14/h3-5H,1-2,8H2,(H,11,14).
What are the key properties of 4-[2-(4-aminopyrazol-1-yl)ethyl]-1H-1,2,4-triazol-5-one?
4-[2-(4-aminopyrazol-1-yl)ethyl]-1H-1,2,4-triazol-5-one has a molecular weight of 194.20 g/mol, XLogP of -0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-aminopyrazol-1-yl)ethyl]-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 107410165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).