2-(4-amino-5-oxo-3-phenyl-1,2,4-triazol-1-yl)acetohydrazide

C10H12N6O2 — CID 1286105

IUPAC2-(4-amino-5-oxo-3-phenyl-1,2,4-triazol-1-yl)acetohydrazide
SMILESNNC(=O)Cn1nc(-c2ccccc2)n(N)c1=O
InChIInChI=1S/C10H12N6O2/c11-13-8(17)6-15-10(18)16(12)9(14-15)7-4-2-1-3-5-7/h1-5H,6,11-12H2,(H,13,17)
InChIKeyKORLOJIXQUJTFS-UHFFFAOYSA-N
MW248.25 g/mol
LogP-1.58
Rot. Bonds3

About 2-(4-amino-5-oxo-3-phenyl-1,2,4-triazol-1-yl)acetohydrazide

2-(4-amino-5-oxo-3-phenyl-1,2,4-triazol-1-yl)acetohydrazide (PubChem CID 1286105) has the molecular formula C10H12N6O2 and a molecular weight of 248.25 g/mol. Its IUPAC name is 2-(4-amino-5-oxo-3-phenyl-1,2,4-triazol-1-yl)acetohydrazide.

Molecular Properties

Compound Name2-(4-amino-5-oxo-3-phenyl-1,2,4-triazol-1-yl)acetohydrazide
PubChem CID1286105
Molecular FormulaC10H12N6O2
Molecular Weight248.25 g/mol
Exact Mass248.10
IUPAC Name2-(4-amino-5-oxo-3-phenyl-1,2,4-triazol-1-yl)acetohydrazide
SMILESNNC(=O)Cn1nc(-c2ccccc2)n(N)c1=O
InChIInChI=1S/C10H12N6O2/c11-13-8(17)6-15-10(18)16(12)9(14-15)7-4-2-1-3-5-7/h1-5H,6,11-12H2,(H,13,17)
InChIKeyKORLOJIXQUJTFS-UHFFFAOYSA-N
XLogP-1.58
TPSA120.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 5-1.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-(4-amino-3-ethyl-5-oxo-1,2,4-triazol-1-yl)acetohydrazide
CID 1286092
2-[[2-[5-oxo-3-phenyl-4-(2-phenylethyl)-1,2,4-triazol-1-yl]acetyl]amino]acetamide
CID 70750399
2-[3-(4-chlorophenyl)-4-(3,3-difluorobutyl)-5-oxo-1,2,4-triazol-1-yl]acetohydrazide
CID 145075298
2-(3-hydrazinyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)acetohydrazide
CID 139218949
2-[2-(4-hydroxyphenyl)-4,5-diphenylimidazol-1-yl]acetohydrazide
CID 171053517
2-(4-ethyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)-N-(thiophen-3-ylmethyl)acetamide
CID 70733954
1-[[2-(4-amino-3-benzyl-5-oxo-1,2,4-triazol-1-yl)acetyl]amino]-3-benzylurea
CID 23660577
1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
CID 2451355
2-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)acetic acid
CID 82512631
N-benzyl-2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)acetamide
CID 121116890
2-[5-[(E)-2-phenylethenyl]tetrazol-2-yl]acetohydrazide
CID 155542685
N-benzyl-2-[3-(4-chlorophenyl)-4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl]acetamide
CID 58011772

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-5-oxo-3-phenyl-1,2,4-triazol-1-yl)acetohydrazide?
The IUPAC name of 2-(4-amino-5-oxo-3-phenyl-1,2,4-triazol-1-yl)acetohydrazide (CID 1286105) is 2-(4-amino-5-oxo-3-phenyl-1,2,4-triazol-1-yl)acetohydrazide.
What is the SMILES notation for 2-(4-amino-5-oxo-3-phenyl-1,2,4-triazol-1-yl)acetohydrazide?
The canonical SMILES for 2-(4-amino-5-oxo-3-phenyl-1,2,4-triazol-1-yl)acetohydrazide is NNC(=O)Cn1nc(-c2ccccc2)n(N)c1=O.
What is the InChIKey of 2-(4-amino-5-oxo-3-phenyl-1,2,4-triazol-1-yl)acetohydrazide?
The InChIKey is KORLOJIXQUJTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O2/c11-13-8(17)6-15-10(18)16(12)9(14-15)7-4-2-1-3-5-7/h1-5H,6,11-12H2,(H,13,17).
What are the key properties of 2-(4-amino-5-oxo-3-phenyl-1,2,4-triazol-1-yl)acetohydrazide?
2-(4-amino-5-oxo-3-phenyl-1,2,4-triazol-1-yl)acetohydrazide has a molecular weight of 248.25 g/mol, XLogP of -1.58, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-5-oxo-3-phenyl-1,2,4-triazol-1-yl)acetohydrazide is sourced from PubChem (CID 1286105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).