3-hydrazinyl-5-nitro-N-(pyridin-4-ylmethyl)aniline

C12H13N5O2 — CID 80943435

IUPAC3-hydrazinyl-5-nitro-N-(pyridin-4-ylmethyl)aniline
SMILESNNc1cc(NCc2ccncc2)cc([N+](=O)[O-])c1
InChIInChI=1S/C12H13N5O2/c13-16-11-5-10(6-12(7-11)17(18)19)15-8-9-1-3-14-4-2-9/h1-7,15-16H,8,13H2
InChIKeyHUDQQNFQKGQLBY-UHFFFAOYSA-N
MW259.27 g/mol
LogP1.89
Rot. Bonds5

About 3-hydrazinyl-5-nitro-N-(pyridin-4-ylmethyl)aniline

3-hydrazinyl-5-nitro-N-(pyridin-4-ylmethyl)aniline (PubChem CID 80943435) has the molecular formula C12H13N5O2 and a molecular weight of 259.27 g/mol. Its IUPAC name is 3-hydrazinyl-5-nitro-N-(pyridin-4-ylmethyl)aniline.

Molecular Properties

Compound Name3-hydrazinyl-5-nitro-N-(pyridin-4-ylmethyl)aniline
PubChem CID80943435
Molecular FormulaC12H13N5O2
Molecular Weight259.27 g/mol
Exact Mass259.11
IUPAC Name3-hydrazinyl-5-nitro-N-(pyridin-4-ylmethyl)aniline
SMILESNNc1cc(NCc2ccncc2)cc([N+](=O)[O-])c1
InChIInChI=1S/C12H13N5O2/c13-16-11-5-10(6-12(7-11)17(18)19)15-8-9-1-3-14-4-2-9/h1-7,15-16H,8,13H2
InChIKeyHUDQQNFQKGQLBY-UHFFFAOYSA-N
XLogP1.89
TPSA106.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 51.89
H-Bond Donors ≤ 53
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

4-nitro-N-(pyridin-4-ylmethyl)aniline
CID 3927656
3-hydrazinyl-N-[(1-methylpyrazol-4-yl)methyl]-5-nitroaniline
CID 80908372
N-[(2-chlorophenyl)methyl]-3-hydrazinyl-5-nitroaniline
CID 80932130
2-(3-hydrazinyl-5-nitroanilino)acetamide
CID 80931618
N-[(4-bromothiophen-2-yl)methyl]-3-hydrazinyl-5-nitroaniline
CID 80917328
N-[2-(4-chlorophenyl)ethyl]-3-hydrazinyl-5-nitroaniline
CID 80899206
3-hydrazinyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-nitroaniline
CID 114181142
3-(3-hydrazinyl-5-nitroanilino)propan-1-ol
CID 80944084
N-(2,2-dimethylbutyl)-3-hydrazinyl-5-nitroaniline
CID 103466749
3-N-[(4-chlorophenyl)methyl]-1-N-ethyl-5-nitrobenzene-1,3-diamine
CID 80750558
3-N-[(4-chlorophenyl)methyl]-5-nitrobenzene-1,3-diamine
CID 80765251
N-benzyl-3-chloro-5-nitroaniline
CID 125116180

Frequently Asked Questions

What is the IUPAC name of 3-hydrazinyl-5-nitro-N-(pyridin-4-ylmethyl)aniline?
The IUPAC name of 3-hydrazinyl-5-nitro-N-(pyridin-4-ylmethyl)aniline (CID 80943435) is 3-hydrazinyl-5-nitro-N-(pyridin-4-ylmethyl)aniline.
What is the SMILES notation for 3-hydrazinyl-5-nitro-N-(pyridin-4-ylmethyl)aniline?
The canonical SMILES for 3-hydrazinyl-5-nitro-N-(pyridin-4-ylmethyl)aniline is NNc1cc(NCc2ccncc2)cc([N+](=O)[O-])c1.
What is the InChIKey of 3-hydrazinyl-5-nitro-N-(pyridin-4-ylmethyl)aniline?
The InChIKey is HUDQQNFQKGQLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2/c13-16-11-5-10(6-12(7-11)17(18)19)15-8-9-1-3-14-4-2-9/h1-7,15-16H,8,13H2.
What are the key properties of 3-hydrazinyl-5-nitro-N-(pyridin-4-ylmethyl)aniline?
3-hydrazinyl-5-nitro-N-(pyridin-4-ylmethyl)aniline has a molecular weight of 259.27 g/mol, XLogP of 1.89, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydrazinyl-5-nitro-N-(pyridin-4-ylmethyl)aniline is sourced from PubChem (CID 80943435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).