N-(1,3-benzodioxol-5-yl)-6-hydrazinylpyridin-2-amine

C12H12N4O2 — CID 80920460

IUPACN-(1,3-benzodioxol-5-yl)-6-hydrazinylpyridin-2-amine
SMILESNNc1cccc(Nc2ccc3c(c2)OCO3)n1
InChIInChI=1S/C12H12N4O2/c13-16-12-3-1-2-11(15-12)14-8-4-5-9-10(6-8)18-7-17-9/h1-6H,7,13H2,(H2,14,15,16)
InChIKeyVAJLYLXQPVKJRV-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.84
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-6-hydrazinylpyridin-2-amine

N-(1,3-benzodioxol-5-yl)-6-hydrazinylpyridin-2-amine (PubChem CID 80920460) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-6-hydrazinylpyridin-2-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-6-hydrazinylpyridin-2-amine
PubChem CID80920460
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC NameN-(1,3-benzodioxol-5-yl)-6-hydrazinylpyridin-2-amine
SMILESNNc1cccc(Nc2ccc3c(c2)OCO3)n1
InChIInChI=1S/C12H12N4O2/c13-16-12-3-1-2-11(15-12)14-8-4-5-9-10(6-8)18-7-17-9/h1-6H,7,13H2,(H2,14,15,16)
InChIKeyVAJLYLXQPVKJRV-UHFFFAOYSA-N
XLogP1.84
TPSA81.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-2-amine
CID 60727080
6-chloro-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyridin-2-amine
CID 55027599
4-N-(1,3-benzodioxol-5-yl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80759901
6-N-(1,3-benzodioxol-5-yl)-4-N-tert-butyl-2-methylpyrimidine-4,6-diamine
CID 112875985
3-(1,3-benzodioxol-5-ylamino)phenol
CID 82537338
5-N-(1,3-benzodioxol-5-yl)-3-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112961708
2-N-(1,3-benzodioxol-5-yl)-4-N-(3,5-dichlorophenyl)pyrimidine-2,4-diamine
CID 112906443
4-N,6-N-bis(1,3-benzodioxol-5-yl)pyrimidine-4,5,6-triamine
CID 22542016
4-N-(1,3-benzodioxol-5-yl)-2-cyclopropyl-6-N-methylpyrimidine-4,6-diamine
CID 80956811
N-(1,3-benzodioxol-5-yl)-6-chloropyrimidin-4-amine
CID 60727029
4-N-(1,3-benzodioxol-5-yl)-2-N,2-N-dipropylpyrimidine-2,4-diamine
CID 112901347
2-N-(1,3-benzodioxol-5-yl)-6-methoxypyridine-2,3-diamine
CID 115320313

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-6-hydrazinylpyridin-2-amine?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-6-hydrazinylpyridin-2-amine (CID 80920460) is N-(1,3-benzodioxol-5-yl)-6-hydrazinylpyridin-2-amine.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-6-hydrazinylpyridin-2-amine?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-6-hydrazinylpyridin-2-amine is NNc1cccc(Nc2ccc3c(c2)OCO3)n1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-6-hydrazinylpyridin-2-amine?
The InChIKey is VAJLYLXQPVKJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c13-16-12-3-1-2-11(15-12)14-8-4-5-9-10(6-8)18-7-17-9/h1-6H,7,13H2,(H2,14,15,16).
What are the key properties of N-(1,3-benzodioxol-5-yl)-6-hydrazinylpyridin-2-amine?
N-(1,3-benzodioxol-5-yl)-6-hydrazinylpyridin-2-amine has a molecular weight of 244.25 g/mol, XLogP of 1.84, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-6-hydrazinylpyridin-2-amine is sourced from PubChem (CID 80920460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).