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

C11H18N6O2 — CID 114071527

IUPAC[6-(4-methyl-1,4-diazepan-1-yl)-4-nitro-2-pyridinyl]hydrazine
SMILESCN1CCCN(c2cc([N+](=O)[O-])cc(NN)n2)CC1
InChIInChI=1S/C11H18N6O2/c1-15-3-2-4-16(6-5-15)11-8-9(17(18)19)7-10(13-11)14-12/h7-8H,2-6,12H2,1H3,(H,13,14)
InChIKeyISFJYWBLLAHRAF-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.42
Rot. Bonds3

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

[6-(4-methyl-1,4-diazepan-1-yl)-4-nitro-2-pyridinyl]hydrazine (PubChem CID 114071527) 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)-4-nitro-2-pyridinyl]hydrazine.

Molecular Properties

Compound Name[6-(4-methyl-1,4-diazepan-1-yl)-4-nitro-2-pyridinyl]hydrazine
PubChem CID114071527
Molecular FormulaC11H18N6O2
Molecular Weight266.30 g/mol
Exact Mass266.15
IUPAC Name[6-(4-methyl-1,4-diazepan-1-yl)-4-nitro-2-pyridinyl]hydrazine
SMILESCN1CCCN(c2cc([N+](=O)[O-])cc(NN)n2)CC1
InChIInChI=1S/C11H18N6O2/c1-15-3-2-4-16(6-5-15)11-8-9(17(18)19)7-10(13-11)14-12/h7-8H,2-6,12H2,1H3,(H,13,14)
InChIKeyISFJYWBLLAHRAF-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

4-hydrazinyl-6-(4-methyl-1,4-diazepan-1-yl)pyrimidin-2-amine
CID 80932163
[1-(6-hydrazinyl-4-nitro-2-pyridinyl)piperidin-4-yl]methanol
CID 114071494
[6-(2-ethyl-1,4-oxazepan-4-yl)-4-nitro-2-pyridinyl]hydrazine
CID 114218872
[6-(4-methyl-1,4-diazepan-1-yl)-5-nitro-2-pyridinyl]hydrazine
CID 80931680
2-bromo-4-nitro-6-pyrrolidin-1-ylpyridine
CID 155883085
[4-(4-methyl-1,4-diazepan-1-yl)-5-nitropyrimidin-2-yl]hydrazine
CID 114045124
2-(4-methyl-1,4-diazepan-1-yl)-5-nitrobenzonitrile
CID 9311454
[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpyrimidin-4-yl]hydrazine
CID 13393629
2-methyl-4-(4-methylpiperazin-1-yl)-6-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 46268139
1-(6-chloro-4-nitro-2-pyridinyl)-4-ethylpiperazine
CID 103886373
1-[4-(6-chloro-4-nitro-2-pyridinyl)piperazin-1-yl]ethanone
CID 113345967
6-(4-methylpiperazin-1-yl)-3-nitropyridin-2-amine
CID 21354525

Frequently Asked Questions

What is the IUPAC name of [6-(4-methyl-1,4-diazepan-1-yl)-4-nitro-2-pyridinyl]hydrazine?
The IUPAC name of [6-(4-methyl-1,4-diazepan-1-yl)-4-nitro-2-pyridinyl]hydrazine (CID 114071527) is [6-(4-methyl-1,4-diazepan-1-yl)-4-nitro-2-pyridinyl]hydrazine.
What is the SMILES notation for [6-(4-methyl-1,4-diazepan-1-yl)-4-nitro-2-pyridinyl]hydrazine?
The canonical SMILES for [6-(4-methyl-1,4-diazepan-1-yl)-4-nitro-2-pyridinyl]hydrazine is CN1CCCN(c2cc([N+](=O)[O-])cc(NN)n2)CC1.
What is the InChIKey of [6-(4-methyl-1,4-diazepan-1-yl)-4-nitro-2-pyridinyl]hydrazine?
The InChIKey is ISFJYWBLLAHRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O2/c1-15-3-2-4-16(6-5-15)11-8-9(17(18)19)7-10(13-11)14-12/h7-8H,2-6,12H2,1H3,(H,13,14).
What are the key properties of [6-(4-methyl-1,4-diazepan-1-yl)-4-nitro-2-pyridinyl]hydrazine?
[6-(4-methyl-1,4-diazepan-1-yl)-4-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)-4-nitro-2-pyridinyl]hydrazine is sourced from PubChem (CID 114071527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).