6-hydrazinyl-N-(3-methylsulfanylpropyl)-3-nitropyridin-2-amine

C9H15N5O2S — CID 80912104

IUPAC6-hydrazinyl-N-(3-methylsulfanylpropyl)-3-nitropyridin-2-amine
SMILESCSCCCNc1nc(NN)ccc1[N+](=O)[O-]
InChIInChI=1S/C9H15N5O2S/c1-17-6-2-5-11-9-7(14(15)16)3-4-8(12-9)13-10/h3-4H,2,5-6,10H2,1H3,(H2,11,12,13)
InChIKeyCSYKXSLQEJYRLG-UHFFFAOYSA-N
MW257.32 g/mol
LogP1.44
Rot. Bonds7

About 6-hydrazinyl-N-(3-methylsulfanylpropyl)-3-nitropyridin-2-amine

6-hydrazinyl-N-(3-methylsulfanylpropyl)-3-nitropyridin-2-amine (PubChem CID 80912104) has the molecular formula C9H15N5O2S and a molecular weight of 257.32 g/mol. Its IUPAC name is 6-hydrazinyl-N-(3-methylsulfanylpropyl)-3-nitropyridin-2-amine.

Molecular Properties

Compound Name6-hydrazinyl-N-(3-methylsulfanylpropyl)-3-nitropyridin-2-amine
PubChem CID80912104
Molecular FormulaC9H15N5O2S
Molecular Weight257.32 g/mol
Exact Mass257.09
IUPAC Name6-hydrazinyl-N-(3-methylsulfanylpropyl)-3-nitropyridin-2-amine
SMILESCSCCCNc1nc(NN)ccc1[N+](=O)[O-]
InChIInChI=1S/C9H15N5O2S/c1-17-6-2-5-11-9-7(14(15)16)3-4-8(12-9)13-10/h3-4H,2,5-6,10H2,1H3,(H2,11,12,13)
InChIKeyCSYKXSLQEJYRLG-UHFFFAOYSA-N
XLogP1.44
TPSA106.11 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]propan-1-ol
CID 80943307
N-ethyl-6-hydrazinyl-3-nitropyridin-2-amine
CID 80932567
2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]ethanesulfonamide
CID 80905959
2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-N-methylethanesulfonamide
CID 114175800
methyl 3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]propanoate
CID 80899106
N-(2,2-dimethylbutyl)-6-hydrazinyl-3-nitropyridin-2-amine
CID 103466734
6-hydrazinyl-3-nitro-N-(2-pyrazol-1-ylethyl)pyridin-2-amine
CID 80896602
1-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-2-methylbutan-2-ol
CID 80916085
N-[2-(5-bromothiophen-2-yl)ethyl]-6-hydrazinyl-3-nitropyridin-2-amine
CID 114140159
(5-nitro-6-propylsulfanyl-2-pyridinyl)hydrazine
CID 80924423
3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]propane-1,2-diol
CID 80922216
6-hydrazinyl-N-[(5-methylfuran-2-yl)methyl]-3-nitropyridin-2-amine
CID 80919528

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-(3-methylsulfanylpropyl)-3-nitropyridin-2-amine?
The IUPAC name of 6-hydrazinyl-N-(3-methylsulfanylpropyl)-3-nitropyridin-2-amine (CID 80912104) is 6-hydrazinyl-N-(3-methylsulfanylpropyl)-3-nitropyridin-2-amine.
What is the SMILES notation for 6-hydrazinyl-N-(3-methylsulfanylpropyl)-3-nitropyridin-2-amine?
The canonical SMILES for 6-hydrazinyl-N-(3-methylsulfanylpropyl)-3-nitropyridin-2-amine is CSCCCNc1nc(NN)ccc1[N+](=O)[O-].
What is the InChIKey of 6-hydrazinyl-N-(3-methylsulfanylpropyl)-3-nitropyridin-2-amine?
The InChIKey is CSYKXSLQEJYRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2S/c1-17-6-2-5-11-9-7(14(15)16)3-4-8(12-9)13-10/h3-4H,2,5-6,10H2,1H3,(H2,11,12,13).
What are the key properties of 6-hydrazinyl-N-(3-methylsulfanylpropyl)-3-nitropyridin-2-amine?
6-hydrazinyl-N-(3-methylsulfanylpropyl)-3-nitropyridin-2-amine has a molecular weight of 257.32 g/mol, XLogP of 1.44, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-(3-methylsulfanylpropyl)-3-nitropyridin-2-amine is sourced from PubChem (CID 80912104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).