(E)-amino-(1-amino-2-pyridinylidene)methanol

C6H9N3O — CID 172614842

IUPAC(E)-amino-(1-amino-2-pyridinylidene)methanol
SMILESN/C(O)=C1/C=CC=CN1N
InChIInChI=1S/C6H9N3O/c7-6(10)5-3-1-2-4-9(5)8/h1-4,10H,7-8H2/b6-5+
InChIKeyREKRYLNTGKBSPL-AATRIKPKSA-N
MW139.16 g/mol
LogP-0.07
Rot. Bonds

About (E)-amino-(1-amino-2-pyridinylidene)methanol

(E)-amino-(1-amino-2-pyridinylidene)methanol (PubChem CID 172614842) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is (E)-amino-(1-amino-2-pyridinylidene)methanol.

Molecular Properties

Compound Name(E)-amino-(1-amino-2-pyridinylidene)methanol
PubChem CID172614842
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name(E)-amino-(1-amino-2-pyridinylidene)methanol
SMILESN/C(O)=C1/C=CC=CN1N
InChIInChI=1S/C6H9N3O/c7-6(10)5-3-1-2-4-9(5)8/h1-4,10H,7-8H2/b6-5+
InChIKeyREKRYLNTGKBSPL-AATRIKPKSA-N
XLogP-0.07
TPSA75.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}

Analyze (E)-amino-(1-amino-2-pyridinylidene)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-amino-(1-amino-2-pyridinylidene)methanol?
The IUPAC name of (E)-amino-(1-amino-2-pyridinylidene)methanol (CID 172614842) is (E)-amino-(1-amino-2-pyridinylidene)methanol.
What is the SMILES notation for (E)-amino-(1-amino-2-pyridinylidene)methanol?
The canonical SMILES for (E)-amino-(1-amino-2-pyridinylidene)methanol is N/C(O)=C1/C=CC=CN1N.
What is the InChIKey of (E)-amino-(1-amino-2-pyridinylidene)methanol?
The InChIKey is REKRYLNTGKBSPL-AATRIKPKSA-N. The full InChI is InChI=1S/C6H9N3O/c7-6(10)5-3-1-2-4-9(5)8/h1-4,10H,7-8H2/b6-5+.
What are the key properties of (E)-amino-(1-amino-2-pyridinylidene)methanol?
(E)-amino-(1-amino-2-pyridinylidene)methanol has a molecular weight of 139.16 g/mol, XLogP of -0.07, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-amino-(1-amino-2-pyridinylidene)methanol is sourced from PubChem (CID 172614842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).