2-(3-hydrazinyl-5-nitroanilino)acetamide

C8H11N5O3 — CID 80931618

IUPAC2-(3-hydrazinyl-5-nitroanilino)acetamide
SMILESNNc1cc(NCC(N)=O)cc([N+](=O)[O-])c1
InChIInChI=1S/C8H11N5O3/c9-8(14)4-11-5-1-6(12-10)3-7(2-5)13(15)16/h1-3,11-12H,4,10H2,(H2,9,14)
InChIKeyQAJCPVKVBGUCEQ-UHFFFAOYSA-N
MW225.21 g/mol
LogP-0.22
Rot. Bonds5

About 2-(3-hydrazinyl-5-nitroanilino)acetamide

2-(3-hydrazinyl-5-nitroanilino)acetamide (PubChem CID 80931618) has the molecular formula C8H11N5O3 and a molecular weight of 225.21 g/mol. Its IUPAC name is 2-(3-hydrazinyl-5-nitroanilino)acetamide.

Molecular Properties

Compound Name2-(3-hydrazinyl-5-nitroanilino)acetamide
PubChem CID80931618
Molecular FormulaC8H11N5O3
Molecular Weight225.21 g/mol
Exact Mass225.09
IUPAC Name2-(3-hydrazinyl-5-nitroanilino)acetamide
SMILESNNc1cc(NCC(N)=O)cc([N+](=O)[O-])c1
InChIInChI=1S/C8H11N5O3/c9-8(14)4-11-5-1-6(12-10)3-7(2-5)13(15)16/h1-3,11-12H,4,10H2,(H2,9,14)
InChIKeyQAJCPVKVBGUCEQ-UHFFFAOYSA-N
XLogP-0.22
TPSA136.31 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 5-0.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(3-hydrazinyl-5-nitroanilino)propan-1-ol
CID 80944084
2-(3-nitro-5-propan-2-yloxyanilino)acetamide
CID 80722203
N-(2,2-dimethylbutyl)-3-hydrazinyl-5-nitroaniline
CID 103466749
3-hydrazinyl-N-(2-methyl-2-methylsulfonylpropyl)-5-nitroaniline
CID 80929129
3-hydrazinyl-5-nitro-N-(pyridin-4-ylmethyl)aniline
CID 80943435
3-hydrazinyl-N-(3-methylsulfanylpropyl)-5-nitroaniline
CID 80913011
3-hydrazinyl-N-[(2-methylcyclohexyl)methyl]-5-nitroaniline
CID 80901526
methyl 2-[3-(methylamino)-5-nitroanilino]acetate
CID 80778005
N-ethyl-2-[3-(ethylamino)-5-nitroanilino]acetamide
CID 80788070
3-hydrazinyl-5-nitro-N-propan-2-ylaniline
CID 80932452
N-[(2-chlorophenyl)methyl]-3-hydrazinyl-5-nitroaniline
CID 80932130
N-[(4-bromothiophen-2-yl)methyl]-3-hydrazinyl-5-nitroaniline
CID 80917328

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydrazinyl-5-nitroanilino)acetamide?
The IUPAC name of 2-(3-hydrazinyl-5-nitroanilino)acetamide (CID 80931618) is 2-(3-hydrazinyl-5-nitroanilino)acetamide.
What is the SMILES notation for 2-(3-hydrazinyl-5-nitroanilino)acetamide?
The canonical SMILES for 2-(3-hydrazinyl-5-nitroanilino)acetamide is NNc1cc(NCC(N)=O)cc([N+](=O)[O-])c1.
What is the InChIKey of 2-(3-hydrazinyl-5-nitroanilino)acetamide?
The InChIKey is QAJCPVKVBGUCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O3/c9-8(14)4-11-5-1-6(12-10)3-7(2-5)13(15)16/h1-3,11-12H,4,10H2,(H2,9,14).
What are the key properties of 2-(3-hydrazinyl-5-nitroanilino)acetamide?
2-(3-hydrazinyl-5-nitroanilino)acetamide has a molecular weight of 225.21 g/mol, XLogP of -0.22, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydrazinyl-5-nitroanilino)acetamide is sourced from PubChem (CID 80931618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).