2-chloro-N'-[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]benzohydrazide

C11H9ClN6O4 — CID 60519361

IUPAC2-chloro-N'-[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]benzohydrazide
SMILESO=C(Cn1cnc([N+](=O)[O-])n1)NNC(=O)c1ccccc1Cl
InChIInChI=1S/C11H9ClN6O4/c12-8-4-2-1-3-7(8)10(20)15-14-9(19)5-17-6-13-11(16-17)18(21)22/h1-4,6H,5H2,(H,14,19)(H,15,20)
InChIKeyHXNVMYIUAAQWMZ-UHFFFAOYSA-N
MW324.68 g/mol
LogP0.30
Rot. Bonds4

About 2-chloro-N'-[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]benzohydrazide

2-chloro-N'-[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]benzohydrazide (PubChem CID 60519361) has the molecular formula C11H9ClN6O4 and a molecular weight of 324.68 g/mol. Its IUPAC name is 2-chloro-N'-[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]benzohydrazide.

Molecular Properties

Compound Name2-chloro-N'-[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]benzohydrazide
PubChem CID60519361
Molecular FormulaC11H9ClN6O4
Molecular Weight324.68 g/mol
Exact Mass324.04
IUPAC Name2-chloro-N'-[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]benzohydrazide
SMILESO=C(Cn1cnc([N+](=O)[O-])n1)NNC(=O)c1ccccc1Cl
InChIInChI=1S/C11H9ClN6O4/c12-8-4-2-1-3-7(8)10(20)15-14-9(19)5-17-6-13-11(16-17)18(21)22/h1-4,6H,5H2,(H,14,19)(H,15,20)
InChIKeyHXNVMYIUAAQWMZ-UHFFFAOYSA-N
XLogP0.30
TPSA132.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.68
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2-chlorophenyl)ethyl]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
CID 47051468
N-benzyl-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
CID 749081
2-chloro-N'-[2-(4-nitrophenyl)sulfanylacetyl]benzohydrazide
CID 35929032
2-(3-nitro-1,2,4-triazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 749084
2-(3-nitro-1,2,4-triazol-1-yl)-N-[(E)-2-phenylethylideneamino]acetamide
CID 7348324
2-chloro-N,N-diethyl-4-[[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]amino]benzamide
CID 87045223
2-iodo-N-[1-(3-nitro-1,2,4-triazol-1-yl)propan-2-ylideneamino]benzamide
CID 1219191
N-[(4-chlorophenyl)methylideneamino]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
CID 5204604
N-(3-chloro-4-ethoxyphenyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
CID 87046523
2-chloro-N'-[2-[4-(3-nitrophenyl)piperazin-1-yl]acetyl]benzohydrazide
CID 55842735
N-(2-methylsulfanylethyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
CID 23274405
N'-[3-(3-nitro-1,2,4-triazol-1-yl)prop-1-en-2-yl]pyridine-3-carbohydrazide
CID 4654455

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]benzohydrazide?
The IUPAC name of 2-chloro-N'-[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]benzohydrazide (CID 60519361) is 2-chloro-N'-[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]benzohydrazide.
What is the SMILES notation for 2-chloro-N'-[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]benzohydrazide?
The canonical SMILES for 2-chloro-N'-[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]benzohydrazide is O=C(Cn1cnc([N+](=O)[O-])n1)NNC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N'-[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]benzohydrazide?
The InChIKey is HXNVMYIUAAQWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN6O4/c12-8-4-2-1-3-7(8)10(20)15-14-9(19)5-17-6-13-11(16-17)18(21)22/h1-4,6H,5H2,(H,14,19)(H,15,20).
What are the key properties of 2-chloro-N'-[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]benzohydrazide?
2-chloro-N'-[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]benzohydrazide has a molecular weight of 324.68 g/mol, XLogP of 0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]benzohydrazide is sourced from PubChem (CID 60519361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).