acetic acid;methanol;3-phenyldiazenylpyridine-2,6-diamine;hydrochloride

C14H20ClN5O3 — CID 173010662

IUPACacetic acid;methanol;3-phenyldiazenylpyridine-2,6-diamine;hydrochloride
SMILESCC(=O)O.CO.Cl.Nc1ccc(/N=N/c2ccccc2)c(N)n1
InChIInChI=1S/C11H11N5.C2H4O2.CH4O.ClH/c12-10-7-6-9(11(13)14-10)16-15-8-4-2-1-3-5-8;1-2(3)4;1-2;/h1-7H,(H4,12,13,14);1H3,(H,3,4);2H,1H3;1H/b16-15+;;;
InChIKeyGQERXFOAXHZHHU-MOJNZBSRSA-N
MW341.80 g/mol
LogP2.78
Rot. Bonds2

About acetic acid;methanol;3-phenyldiazenylpyridine-2,6-diamine;hydrochloride

acetic acid;methanol;3-phenyldiazenylpyridine-2,6-diamine;hydrochloride (PubChem CID 173010662) has the molecular formula C14H20ClN5O3 and a molecular weight of 341.80 g/mol. Its IUPAC name is acetic acid;methanol;3-phenyldiazenylpyridine-2,6-diamine;hydrochloride.

Molecular Properties

Compound Nameacetic acid;methanol;3-phenyldiazenylpyridine-2,6-diamine;hydrochloride
PubChem CID173010662
Molecular FormulaC14H20ClN5O3
Molecular Weight341.80 g/mol
Exact Mass341.13
IUPAC Nameacetic acid;methanol;3-phenyldiazenylpyridine-2,6-diamine;hydrochloride
SMILESCC(=O)O.CO.Cl.Nc1ccc(/N=N/c2ccccc2)c(N)n1
InChIInChI=1S/C11H11N5.C2H4O2.CH4O.ClH/c12-10-7-6-9(11(13)14-10)16-15-8-4-2-1-3-5-8;1-2(3)4;1-2;/h1-7H,(H4,12,13,14);1H3,(H,3,4);2H,1H3;1H/b16-15+;;;
InChIKeyGQERXFOAXHZHHU-MOJNZBSRSA-N
XLogP2.78
TPSA147.18 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 52.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of acetic acid;methanol;3-phenyldiazenylpyridine-2,6-diamine;hydrochloride?
The IUPAC name of acetic acid;methanol;3-phenyldiazenylpyridine-2,6-diamine;hydrochloride (CID 173010662) is acetic acid;methanol;3-phenyldiazenylpyridine-2,6-diamine;hydrochloride.
What is the SMILES notation for acetic acid;methanol;3-phenyldiazenylpyridine-2,6-diamine;hydrochloride?
The canonical SMILES for acetic acid;methanol;3-phenyldiazenylpyridine-2,6-diamine;hydrochloride is CC(=O)O.CO.Cl.Nc1ccc(/N=N/c2ccccc2)c(N)n1.
What is the InChIKey of acetic acid;methanol;3-phenyldiazenylpyridine-2,6-diamine;hydrochloride?
The InChIKey is GQERXFOAXHZHHU-MOJNZBSRSA-N. The full InChI is InChI=1S/C11H11N5.C2H4O2.CH4O.ClH/c12-10-7-6-9(11(13)14-10)16-15-8-4-2-1-3-5-8;1-2(3)4;1-2;/h1-7H,(H4,12,13,14);1H3,(H,3,4);2H,1H3;1H/b16-15+;;;.
What are the key properties of acetic acid;methanol;3-phenyldiazenylpyridine-2,6-diamine;hydrochloride?
acetic acid;methanol;3-phenyldiazenylpyridine-2,6-diamine;hydrochloride has a molecular weight of 341.80 g/mol, XLogP of 2.78, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;methanol;3-phenyldiazenylpyridine-2,6-diamine;hydrochloride is sourced from PubChem (CID 173010662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).