5-amino-6-[(2-amino-3-pyridinyl)methylidene]cyclohexa-2,4-dien-1-ol

C12H13N3O — CID 175442358

IUPAC5-amino-6-[(2-amino-3-pyridinyl)methylidene]cyclohexa-2,4-dien-1-ol
SMILESNC1=CC=CC(O)C1=Cc1cccnc1N
InChIInChI=1S/C12H13N3O/c13-10-4-1-5-11(16)9(10)7-8-3-2-6-15-12(8)14/h1-7,11,16H,13H2,(H2,14,15)
InChIKeyBCYGKVHEPGJYRP-UHFFFAOYSA-N
MW215.26 g/mol
LogP0.82
Rot. Bonds1

About 5-amino-6-[(2-amino-3-pyridinyl)methylidene]cyclohexa-2,4-dien-1-ol

5-amino-6-[(2-amino-3-pyridinyl)methylidene]cyclohexa-2,4-dien-1-ol (PubChem CID 175442358) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 5-amino-6-[(2-amino-3-pyridinyl)methylidene]cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name5-amino-6-[(2-amino-3-pyridinyl)methylidene]cyclohexa-2,4-dien-1-ol
PubChem CID175442358
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name5-amino-6-[(2-amino-3-pyridinyl)methylidene]cyclohexa-2,4-dien-1-ol
SMILESNC1=CC=CC(O)C1=Cc1cccnc1N
InChIInChI=1S/C12H13N3O/c13-10-4-1-5-11(16)9(10)7-8-3-2-6-15-12(8)14/h1-7,11,16H,13H2,(H2,14,15)
InChIKeyBCYGKVHEPGJYRP-UHFFFAOYSA-N
XLogP0.82
TPSA85.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,2-dibromoethenyl)pyridin-2-amine
CID 119094874
2-aminopyridin-3-ol;methane
CID 175038477
3-(2-amino-3-pyridinyl)pyridin-2-amine
CID 1236677
5H-cyclohepta[b]pyridin-5-ol
CID 123855749
[(E)-(2-amino-3-pyridinyl)methylideneamino]urea
CID 122358737
3-(4-bromobut-1-enyl)pyridin-2-amine
CID 79603279
potassium 2-aminopyridine-3-thiolate
CID 142119104
2-aminopyridin-3-ol;sulfuric acid
CID 67131253
N-[3-(2-amino-3-pyridinyl)prop-2-enyl]acetamide
CID 169464873
3-(2-amino-3-pyridinyl)cycloheptan-1-ol
CID 64513237
3-[(E)-3-ethoxyprop-1-enyl]pyridin-2-amine
CID 89150413
3-prop-2-enylpyridin-2-amine
CID 22022139

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[(2-amino-3-pyridinyl)methylidene]cyclohexa-2,4-dien-1-ol?
The IUPAC name of 5-amino-6-[(2-amino-3-pyridinyl)methylidene]cyclohexa-2,4-dien-1-ol (CID 175442358) is 5-amino-6-[(2-amino-3-pyridinyl)methylidene]cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 5-amino-6-[(2-amino-3-pyridinyl)methylidene]cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 5-amino-6-[(2-amino-3-pyridinyl)methylidene]cyclohexa-2,4-dien-1-ol is NC1=CC=CC(O)C1=Cc1cccnc1N.
What is the InChIKey of 5-amino-6-[(2-amino-3-pyridinyl)methylidene]cyclohexa-2,4-dien-1-ol?
The InChIKey is BCYGKVHEPGJYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c13-10-4-1-5-11(16)9(10)7-8-3-2-6-15-12(8)14/h1-7,11,16H,13H2,(H2,14,15).
What are the key properties of 5-amino-6-[(2-amino-3-pyridinyl)methylidene]cyclohexa-2,4-dien-1-ol?
5-amino-6-[(2-amino-3-pyridinyl)methylidene]cyclohexa-2,4-dien-1-ol has a molecular weight of 215.26 g/mol, XLogP of 0.82, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[(2-amino-3-pyridinyl)methylidene]cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 175442358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).