3-phenyldiazenylpyridine-2,6-diamine;hydrate

C11H13N5O — CID 139146043

IUPAC3-phenyldiazenylpyridine-2,6-diamine;hydrate
SMILESNc1ccc(/N=N/c2ccccc2)c(N)n1.O
InChIInChI=1S/C11H11N5.H2O/c12-10-7-6-9(11(13)14-10)16-15-8-4-2-1-3-5-8;/h1-7H,(H4,12,13,14);1H2/b16-15+;
InChIKeyJJPOBGUFHBGRMQ-GEEYTBSJSA-N
MW231.26 g/mol
LogP1.84
Rot. Bonds2

About 3-phenyldiazenylpyridine-2,6-diamine;hydrate

3-phenyldiazenylpyridine-2,6-diamine;hydrate (PubChem CID 139146043) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 3-phenyldiazenylpyridine-2,6-diamine;hydrate.

Molecular Properties

Compound Name3-phenyldiazenylpyridine-2,6-diamine;hydrate
PubChem CID139146043
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name3-phenyldiazenylpyridine-2,6-diamine;hydrate
SMILESNc1ccc(/N=N/c2ccccc2)c(N)n1.O
InChIInChI=1S/C11H11N5.H2O/c12-10-7-6-9(11(13)14-10)16-15-8-4-2-1-3-5-8;/h1-7H,(H4,12,13,14);1H2/b16-15+;
InChIKeyJJPOBGUFHBGRMQ-GEEYTBSJSA-N
XLogP1.84
TPSA121.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;methanol;3-phenyldiazenylpyridine-2,6-diamine;hydrochloride
CID 173010662
acetyl chloride;3-phenyldiazenylpyridine-2,6-diamine;hydrochloride
CID 87308906
1-chlorohexadecane;3-phenyldiazenylpyridine-2,6-diamine;hydrochloride
CID 87072530
6-ethyl-3-phenyldiazenylpyridin-2-amine
CID 91362833
chloromethane;octadecanamide;3-phenyldiazenylpyridine-2,6-diamine;hydrochloride
CID 173035225
[2-[(2,6-diamino-3-pyridinyl)diazenyl]phenyl] formate
CID 164908675
2-amino-N-(6-amino-5-phenyldiazenyl-2-pyridinyl)propanamide
CID 75184721
4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide;3-phenyldiazenylpyridine-2,6-diamine
CID 56843144
4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide;3-phenyldiazenylpyridine-2,6-diamine;hydrochloride
CID 24847784
[2-[(2,6-diamino-3-pyridinyl)diazenyl]phenyl] acetate
CID 164909288
[(6-amino-5-phenyldiazenyl-2-pyridinyl)amino]methyl-(cyclobuten-1-yl)azanium
CID 147137280
2-[[2-[(2-phenyldiazenylphenyl)diazenyl]phenyl]diazenyl]aniline
CID 56927616

Frequently Asked Questions

What is the IUPAC name of 3-phenyldiazenylpyridine-2,6-diamine;hydrate?
The IUPAC name of 3-phenyldiazenylpyridine-2,6-diamine;hydrate (CID 139146043) is 3-phenyldiazenylpyridine-2,6-diamine;hydrate.
What is the SMILES notation for 3-phenyldiazenylpyridine-2,6-diamine;hydrate?
The canonical SMILES for 3-phenyldiazenylpyridine-2,6-diamine;hydrate is Nc1ccc(/N=N/c2ccccc2)c(N)n1.O.
What is the InChIKey of 3-phenyldiazenylpyridine-2,6-diamine;hydrate?
The InChIKey is JJPOBGUFHBGRMQ-GEEYTBSJSA-N. The full InChI is InChI=1S/C11H11N5.H2O/c12-10-7-6-9(11(13)14-10)16-15-8-4-2-1-3-5-8;/h1-7H,(H4,12,13,14);1H2/b16-15+;.
What are the key properties of 3-phenyldiazenylpyridine-2,6-diamine;hydrate?
3-phenyldiazenylpyridine-2,6-diamine;hydrate has a molecular weight of 231.26 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyldiazenylpyridine-2,6-diamine;hydrate is sourced from PubChem (CID 139146043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).