ethane;N-hydroxy-N'-(4-methyl-2-pyridinyl)methanimidamide

C9H15N3O — CID 170575859

IUPACethane;N-hydroxy-N'-(4-methyl-2-pyridinyl)methanimidamide
SMILESCC.Cc1ccnc(/N=C/NO)c1
InChIInChI=1S/C7H9N3O.C2H6/c1-6-2-3-8-7(4-6)9-5-10-11;1-2/h2-5,11H,1H3,(H,8,9,10);1-2H3
InChIKeyWACZPBCOFBBIJW-UHFFFAOYSA-N
MW181.24 g/mol
LogP2.05
Rot. Bonds2

About ethane;N-hydroxy-N'-(4-methyl-2-pyridinyl)methanimidamide

ethane;N-hydroxy-N'-(4-methyl-2-pyridinyl)methanimidamide (PubChem CID 170575859) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is ethane;N-hydroxy-N'-(4-methyl-2-pyridinyl)methanimidamide.

Molecular Properties

Compound Nameethane;N-hydroxy-N'-(4-methyl-2-pyridinyl)methanimidamide
PubChem CID170575859
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Nameethane;N-hydroxy-N'-(4-methyl-2-pyridinyl)methanimidamide
SMILESCC.Cc1ccnc(/N=C/NO)c1
InChIInChI=1S/C7H9N3O.C2H6/c1-6-2-3-8-7(4-6)9-5-10-11;1-2/h2-5,11H,1H3,(H,8,9,10);1-2H3
InChIKeyWACZPBCOFBBIJW-UHFFFAOYSA-N
XLogP2.05
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(4-bromo-2-pyridinyl)-N-hydroxymethanimidamide;hydrochloride
CID 86641012
copper;bis(2-[(4-methyl-2-pyridinyl)iminomethyl]phenol)
CID 137200643
4-bromo-2-[(4-methyl-2-pyridinyl)iminomethyl]phenol
CID 869448
1-(furan-2-yl)-N-(4-methyl-2-pyridinyl)methanimine
CID 11206226
copper bis(2-[(4-methyl-2-pyridinyl)iminomethyl]phenolate)
CID 45049441
2,4-dichloro-6-[(4-methyl-2-pyridinyl)iminomethyl]phenol
CID 135759374
1-(2,4-dichlorophenyl)-N-(4-methyl-2-pyridinyl)methanimine
CID 132602552
1-[(4-methyl-2-pyridinyl)iminomethyl]naphthalen-2-ol
CID 809927
ethyl 2-cyano-3-[(4-methyl-2-pyridinyl)imino]propanoate
CID 54465384
1-(4-methoxyphenyl)-3-[(4-methyl-2-pyridinyl)imino]propan-1-one
CID 91899582
ethane;methanol;4-methyl-2-methylsulfanylpyridine
CID 178057256
N-[(4-methyl-2-pyridinyl)methyl]hydroxylamine
CID 82593929

Frequently Asked Questions

What is the IUPAC name of ethane;N-hydroxy-N'-(4-methyl-2-pyridinyl)methanimidamide?
The IUPAC name of ethane;N-hydroxy-N'-(4-methyl-2-pyridinyl)methanimidamide (CID 170575859) is ethane;N-hydroxy-N'-(4-methyl-2-pyridinyl)methanimidamide.
What is the SMILES notation for ethane;N-hydroxy-N'-(4-methyl-2-pyridinyl)methanimidamide?
The canonical SMILES for ethane;N-hydroxy-N'-(4-methyl-2-pyridinyl)methanimidamide is CC.Cc1ccnc(/N=C/NO)c1.
What is the InChIKey of ethane;N-hydroxy-N'-(4-methyl-2-pyridinyl)methanimidamide?
The InChIKey is WACZPBCOFBBIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O.C2H6/c1-6-2-3-8-7(4-6)9-5-10-11;1-2/h2-5,11H,1H3,(H,8,9,10);1-2H3.
What are the key properties of ethane;N-hydroxy-N'-(4-methyl-2-pyridinyl)methanimidamide?
ethane;N-hydroxy-N'-(4-methyl-2-pyridinyl)methanimidamide has a molecular weight of 181.24 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-hydroxy-N'-(4-methyl-2-pyridinyl)methanimidamide is sourced from PubChem (CID 170575859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).