4-[(1-hydroxy-2-pyridinylidene)hydrazinylidene]-3-imino-N,N-dimethylcyclohexa-1,5-dien-1-amine

C13H15N5O — CID 59879673

IUPAC4-[(1-hydroxy-2-pyridinylidene)hydrazinylidene]-3-imino-N,N-dimethylcyclohexa-1,5-dien-1-amine
SMILES[H]/N=C1\C=C(N(C)C)C=CC1=NN=c1ccccn1O
InChIInChI=1S/C13H15N5O/c1-17(2)10-6-7-12(11(14)9-10)15-16-13-5-3-4-8-18(13)19/h3-9,14,19H,1-2H3/b14-11+,15-12?,16-13?
InChIKeyHAWWUDSCNLBFAT-WMVVUXJASA-N
MW257.30 g/mol
LogP1.02
Rot. Bonds2

About 4-[(1-hydroxy-2-pyridinylidene)hydrazinylidene]-3-imino-N,N-dimethylcyclohexa-1,5-dien-1-amine

4-[(1-hydroxy-2-pyridinylidene)hydrazinylidene]-3-imino-N,N-dimethylcyclohexa-1,5-dien-1-amine (PubChem CID 59879673) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is 4-[(1-hydroxy-2-pyridinylidene)hydrazinylidene]-3-imino-N,N-dimethylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name4-[(1-hydroxy-2-pyridinylidene)hydrazinylidene]-3-imino-N,N-dimethylcyclohexa-1,5-dien-1-amine
PubChem CID59879673
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name4-[(1-hydroxy-2-pyridinylidene)hydrazinylidene]-3-imino-N,N-dimethylcyclohexa-1,5-dien-1-amine
SMILES[H]/N=C1\C=C(N(C)C)C=CC1=NN=c1ccccn1O
InChIInChI=1S/C13H15N5O/c1-17(2)10-6-7-12(11(14)9-10)15-16-13-5-3-4-8-18(13)19/h3-9,14,19H,1-2H3/b14-11+,15-12?,16-13?
InChIKeyHAWWUDSCNLBFAT-WMVVUXJASA-N
XLogP1.02
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'chinone_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-hydroxy-2-pyridinylidene)hydrazinylidene]-3-imino-N,N-dimethylcyclohexa-1,5-dien-1-amine?
The IUPAC name of 4-[(1-hydroxy-2-pyridinylidene)hydrazinylidene]-3-imino-N,N-dimethylcyclohexa-1,5-dien-1-amine (CID 59879673) is 4-[(1-hydroxy-2-pyridinylidene)hydrazinylidene]-3-imino-N,N-dimethylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 4-[(1-hydroxy-2-pyridinylidene)hydrazinylidene]-3-imino-N,N-dimethylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for 4-[(1-hydroxy-2-pyridinylidene)hydrazinylidene]-3-imino-N,N-dimethylcyclohexa-1,5-dien-1-amine is [H]/N=C1\C=C(N(C)C)C=CC1=NN=c1ccccn1O.
What is the InChIKey of 4-[(1-hydroxy-2-pyridinylidene)hydrazinylidene]-3-imino-N,N-dimethylcyclohexa-1,5-dien-1-amine?
The InChIKey is HAWWUDSCNLBFAT-WMVVUXJASA-N. The full InChI is InChI=1S/C13H15N5O/c1-17(2)10-6-7-12(11(14)9-10)15-16-13-5-3-4-8-18(13)19/h3-9,14,19H,1-2H3/b14-11+,15-12?,16-13?.
What are the key properties of 4-[(1-hydroxy-2-pyridinylidene)hydrazinylidene]-3-imino-N,N-dimethylcyclohexa-1,5-dien-1-amine?
4-[(1-hydroxy-2-pyridinylidene)hydrazinylidene]-3-imino-N,N-dimethylcyclohexa-1,5-dien-1-amine has a molecular weight of 257.30 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-hydroxy-2-pyridinylidene)hydrazinylidene]-3-imino-N,N-dimethylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 59879673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).