(Z)-2-amino-2-[5-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-2-pyridinyl]ethenol

C11H14N4O — CID 170633763

IUPAC(Z)-2-amino-2-[5-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-2-pyridinyl]ethenol
SMILESC/N=C/C(=C\N)c1ccc(/C(N)=C/O)nc1
InChIInChI=1S/C11H14N4O/c1-14-5-9(4-12)8-2-3-11(15-6-8)10(13)7-16/h2-7,16H,12-13H2,1H3/b9-4+,10-7-,14-5+
InChIKeyAARSTUHUBMGJHF-YWQKXOJUSA-N
MW218.26 g/mol
LogP0.90
Rot. Bonds3

About (Z)-2-amino-2-[5-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-2-pyridinyl]ethenol

(Z)-2-amino-2-[5-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-2-pyridinyl]ethenol (PubChem CID 170633763) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is (Z)-2-amino-2-[5-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-2-pyridinyl]ethenol.

Molecular Properties

Compound Name(Z)-2-amino-2-[5-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-2-pyridinyl]ethenol
PubChem CID170633763
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name(Z)-2-amino-2-[5-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-2-pyridinyl]ethenol
SMILESC/N=C/C(=C\N)c1ccc(/C(N)=C/O)nc1
InChIInChI=1S/C11H14N4O/c1-14-5-9(4-12)8-2-3-11(15-6-8)10(13)7-16/h2-7,16H,12-13H2,1H3/b9-4+,10-7-,14-5+
InChIKeyAARSTUHUBMGJHF-YWQKXOJUSA-N
XLogP0.90
TPSA97.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-amino-2-[5-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-2-pyridinyl]ethenol?
The IUPAC name of (Z)-2-amino-2-[5-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-2-pyridinyl]ethenol (CID 170633763) is (Z)-2-amino-2-[5-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-2-pyridinyl]ethenol.
What is the SMILES notation for (Z)-2-amino-2-[5-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-2-pyridinyl]ethenol?
The canonical SMILES for (Z)-2-amino-2-[5-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-2-pyridinyl]ethenol is C/N=C/C(=C\N)c1ccc(/C(N)=C/O)nc1.
What is the InChIKey of (Z)-2-amino-2-[5-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-2-pyridinyl]ethenol?
The InChIKey is AARSTUHUBMGJHF-YWQKXOJUSA-N. The full InChI is InChI=1S/C11H14N4O/c1-14-5-9(4-12)8-2-3-11(15-6-8)10(13)7-16/h2-7,16H,12-13H2,1H3/b9-4+,10-7-,14-5+.
What are the key properties of (Z)-2-amino-2-[5-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-2-pyridinyl]ethenol?
(Z)-2-amino-2-[5-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-2-pyridinyl]ethenol has a molecular weight of 218.26 g/mol, XLogP of 0.90, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-amino-2-[5-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-2-pyridinyl]ethenol is sourced from PubChem (CID 170633763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).