2-(4-oxo-2-phenyl-3,3a-dihydropyrazolo[1,5-d][1,2,4]triazin-5-yl)acetohydrazide

C13H14N6O2 — CID 15048359

IUPAC2-(4-oxo-2-phenyl-3,3a-dihydropyrazolo[1,5-d][1,2,4]triazin-5-yl)acetohydrazide
SMILESNNC(=O)CN1N=CN2N=C(c3ccccc3)CC2C1=O
InChIInChI=1S/C13H14N6O2/c14-16-12(20)7-18-13(21)11-6-10(17-19(11)8-15-18)9-4-2-1-3-5-9/h1-5,8,11H,6-7,14H2,(H,16,20)
InChIKeyFBBGRKBXYHDYDX-UHFFFAOYSA-N
MW286.30 g/mol
LogP-0.76
Rot. Bonds3

About 2-(4-oxo-2-phenyl-3,3a-dihydropyrazolo[1,5-d][1,2,4]triazin-5-yl)acetohydrazide

2-(4-oxo-2-phenyl-3,3a-dihydropyrazolo[1,5-d][1,2,4]triazin-5-yl)acetohydrazide (PubChem CID 15048359) has the molecular formula C13H14N6O2 and a molecular weight of 286.30 g/mol. Its IUPAC name is 2-(4-oxo-2-phenyl-3,3a-dihydropyrazolo[1,5-d][1,2,4]triazin-5-yl)acetohydrazide.

Molecular Properties

Compound Name2-(4-oxo-2-phenyl-3,3a-dihydropyrazolo[1,5-d][1,2,4]triazin-5-yl)acetohydrazide
PubChem CID15048359
Molecular FormulaC13H14N6O2
Molecular Weight286.30 g/mol
Exact Mass286.12
IUPAC Name2-(4-oxo-2-phenyl-3,3a-dihydropyrazolo[1,5-d][1,2,4]triazin-5-yl)acetohydrazide
SMILESNNC(=O)CN1N=CN2N=C(c3ccccc3)CC2C1=O
InChIInChI=1S/C13H14N6O2/c14-16-12(20)7-18-13(21)11-6-10(17-19(11)8-15-18)9-4-2-1-3-5-9/h1-5,8,11H,6-7,14H2,(H,16,20)
InChIKeyFBBGRKBXYHDYDX-UHFFFAOYSA-N
XLogP-0.76
TPSA103.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-(4-methoxyphenyl)-4-oxo-3,3a-dihydropyrazolo[1,5-d][1,2,4]triazin-5-yl]acetic acid
CID 15025880
2-(4-oxo-2,7-diphenyl-3,3a-dihydropyrazolo[1,5-d][1,2,4]triazin-5-yl)acetic acid
CID 15025881
2-[2-[(3R)-2-benzoyl-5-phenyl-3,4-dihydropyrazol-3-yl]phenoxy]acetohydrazide
CID 41130391
1-[(3S)-3-(4-bromophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]propan-1-one
CID 1211650
2-(2,5-dioxo-4-phenylimidazolidin-1-yl)acetohydrazide
CID 84571871
4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
CID 846205
1-[(3R)-3,5-bis(4-bromophenyl)-3,4-dihydropyrazol-2-yl]-2-phenylethanone
CID 41070766
[3,5-bis(4-bromophenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 3098588
2-phenylsulfanylacetohydrazide
CID 7037418
2,5-diphenyl-3,4-dihydropyrazole-3-carboxamide
CID 175059714
(3R)-2-(4-bromophenyl)-3,5-diphenyl-3,4-dihydropyrazole
CID 7071800
3-(4-bromophenyl)-2,5-diphenyl-3,4-dihydropyrazole
CID 3089890

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-2-phenyl-3,3a-dihydropyrazolo[1,5-d][1,2,4]triazin-5-yl)acetohydrazide?
The IUPAC name of 2-(4-oxo-2-phenyl-3,3a-dihydropyrazolo[1,5-d][1,2,4]triazin-5-yl)acetohydrazide (CID 15048359) is 2-(4-oxo-2-phenyl-3,3a-dihydropyrazolo[1,5-d][1,2,4]triazin-5-yl)acetohydrazide.
What is the SMILES notation for 2-(4-oxo-2-phenyl-3,3a-dihydropyrazolo[1,5-d][1,2,4]triazin-5-yl)acetohydrazide?
The canonical SMILES for 2-(4-oxo-2-phenyl-3,3a-dihydropyrazolo[1,5-d][1,2,4]triazin-5-yl)acetohydrazide is NNC(=O)CN1N=CN2N=C(c3ccccc3)CC2C1=O.
What is the InChIKey of 2-(4-oxo-2-phenyl-3,3a-dihydropyrazolo[1,5-d][1,2,4]triazin-5-yl)acetohydrazide?
The InChIKey is FBBGRKBXYHDYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O2/c14-16-12(20)7-18-13(21)11-6-10(17-19(11)8-15-18)9-4-2-1-3-5-9/h1-5,8,11H,6-7,14H2,(H,16,20).
What are the key properties of 2-(4-oxo-2-phenyl-3,3a-dihydropyrazolo[1,5-d][1,2,4]triazin-5-yl)acetohydrazide?
2-(4-oxo-2-phenyl-3,3a-dihydropyrazolo[1,5-d][1,2,4]triazin-5-yl)acetohydrazide has a molecular weight of 286.30 g/mol, XLogP of -0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-2-phenyl-3,3a-dihydropyrazolo[1,5-d][1,2,4]triazin-5-yl)acetohydrazide is sourced from PubChem (CID 15048359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).