[6-(4-methyl-1,4-diazepan-1-yl)-5-nitro-2-pyridinyl]hydrazine

C11H18N6O2 — CID 80931680

IUPAC[6-(4-methyl-1,4-diazepan-1-yl)-5-nitro-2-pyridinyl]hydrazine
SMILESCN1CCCN(c2nc(NN)ccc2[N+](=O)[O-])CC1
InChIInChI=1S/C11H18N6O2/c1-15-5-2-6-16(8-7-15)11-9(17(18)19)3-4-10(13-11)14-12/h3-4H,2,5-8,12H2,1H3,(H,13,14)
InChIKeyGZDUHHKYCVRRQF-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.42
Rot. Bonds3

About [6-(4-methyl-1,4-diazepan-1-yl)-5-nitro-2-pyridinyl]hydrazine

[6-(4-methyl-1,4-diazepan-1-yl)-5-nitro-2-pyridinyl]hydrazine (PubChem CID 80931680) has the molecular formula C11H18N6O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is [6-(4-methyl-1,4-diazepan-1-yl)-5-nitro-2-pyridinyl]hydrazine.

Molecular Properties

Compound Name[6-(4-methyl-1,4-diazepan-1-yl)-5-nitro-2-pyridinyl]hydrazine
PubChem CID80931680
Molecular FormulaC11H18N6O2
Molecular Weight266.30 g/mol
Exact Mass266.15
IUPAC Name[6-(4-methyl-1,4-diazepan-1-yl)-5-nitro-2-pyridinyl]hydrazine
SMILESCN1CCCN(c2nc(NN)ccc2[N+](=O)[O-])CC1
InChIInChI=1S/C11H18N6O2/c1-15-5-2-6-16(8-7-15)11-9(17(18)19)3-4-10(13-11)14-12/h3-4H,2,5-8,12H2,1H3,(H,13,14)
InChIKeyGZDUHHKYCVRRQF-UHFFFAOYSA-N
XLogP0.42
TPSA100.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

[6-(4,4-dimethylpiperidin-1-yl)-5-nitro-2-pyridinyl]hydrazine
CID 80918944
(5-nitro-6-thiomorpholin-4-yl-2-pyridinyl)hydrazine
CID 80932064
[4-(4-methyl-1,4-diazepan-1-yl)-5-nitropyrimidin-2-yl]hydrazine
CID 114045124
[6-(4-ethyl-4-methylpiperidin-1-yl)-5-nitro-2-pyridinyl]hydrazine
CID 80913752
1-(6-hydrazinyl-3-nitro-2-pyridinyl)piperidin-3-ol
CID 80906785
[6-(4-ethoxypiperidin-1-yl)-5-nitro-2-pyridinyl]hydrazine
CID 80898026
1-(6-hydrazinyl-3-nitro-2-pyridinyl)-N-methylpiperidine-3-carboxamide
CID 103198724
[6-(4-methyl-1,4-diazepan-1-yl)-4-nitro-2-pyridinyl]hydrazine
CID 114071527
[6-(2,3-dihydroindol-1-yl)-5-nitro-2-pyridinyl]hydrazine
CID 80911841
methyl 6-(4-methylpiperazin-1-yl)-5-nitropyridine-2-carboxylate
CID 114403379
[6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-nitro-2-pyridinyl]hydrazine
CID 102729208
N-methyl-5-nitro-6-(3,3,4-trimethylpiperazin-1-yl)pyridin-2-amine
CID 80834541

Frequently Asked Questions

What is the IUPAC name of [6-(4-methyl-1,4-diazepan-1-yl)-5-nitro-2-pyridinyl]hydrazine?
The IUPAC name of [6-(4-methyl-1,4-diazepan-1-yl)-5-nitro-2-pyridinyl]hydrazine (CID 80931680) is [6-(4-methyl-1,4-diazepan-1-yl)-5-nitro-2-pyridinyl]hydrazine.
What is the SMILES notation for [6-(4-methyl-1,4-diazepan-1-yl)-5-nitro-2-pyridinyl]hydrazine?
The canonical SMILES for [6-(4-methyl-1,4-diazepan-1-yl)-5-nitro-2-pyridinyl]hydrazine is CN1CCCN(c2nc(NN)ccc2[N+](=O)[O-])CC1.
What is the InChIKey of [6-(4-methyl-1,4-diazepan-1-yl)-5-nitro-2-pyridinyl]hydrazine?
The InChIKey is GZDUHHKYCVRRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O2/c1-15-5-2-6-16(8-7-15)11-9(17(18)19)3-4-10(13-11)14-12/h3-4H,2,5-8,12H2,1H3,(H,13,14).
What are the key properties of [6-(4-methyl-1,4-diazepan-1-yl)-5-nitro-2-pyridinyl]hydrazine?
[6-(4-methyl-1,4-diazepan-1-yl)-5-nitro-2-pyridinyl]hydrazine has a molecular weight of 266.30 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-methyl-1,4-diazepan-1-yl)-5-nitro-2-pyridinyl]hydrazine is sourced from PubChem (CID 80931680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).