(3Z)-3-[6-amino-5-(4-amino-5-methanimidoyl-3,6-dihydro-2H-pyridin-1-yl)pyridazin-3-yl]penta-1,3-dien-2-ol

C15H20N6O — CID 145145518

IUPAC(3Z)-3-[6-amino-5-(4-amino-5-methanimidoyl-3,6-dihydro-2H-pyridin-1-yl)pyridazin-3-yl]penta-1,3-dien-2-ol
SMILES[H]/N=C/C1=C(N)CCN(c2cc(/C(=C/C)C(=C)O)nnc2N)C1
InChIInChI=1S/C15H20N6O/c1-3-11(9(2)22)13-6-14(15(18)20-19-13)21-5-4-12(17)10(7-16)8-21/h3,6-7,16,22H,2,4-5,8,17H2,1H3,(H2,18,20)/b11-3+,16-7+
InChIKeyMEUPJVBWJLZHOF-IZQHMAPUSA-N
MW300.37 g/mol
LogP1.61
Rot. Bonds4

About (3Z)-3-[6-amino-5-(4-amino-5-methanimidoyl-3,6-dihydro-2H-pyridin-1-yl)pyridazin-3-yl]penta-1,3-dien-2-ol

(3Z)-3-[6-amino-5-(4-amino-5-methanimidoyl-3,6-dihydro-2H-pyridin-1-yl)pyridazin-3-yl]penta-1,3-dien-2-ol (PubChem CID 145145518) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is (3Z)-3-[6-amino-5-(4-amino-5-methanimidoyl-3,6-dihydro-2H-pyridin-1-yl)pyridazin-3-yl]penta-1,3-dien-2-ol.

Molecular Properties

Compound Name(3Z)-3-[6-amino-5-(4-amino-5-methanimidoyl-3,6-dihydro-2H-pyridin-1-yl)pyridazin-3-yl]penta-1,3-dien-2-ol
PubChem CID145145518
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name(3Z)-3-[6-amino-5-(4-amino-5-methanimidoyl-3,6-dihydro-2H-pyridin-1-yl)pyridazin-3-yl]penta-1,3-dien-2-ol
SMILES[H]/N=C/C1=C(N)CCN(c2cc(/C(=C/C)C(=C)O)nnc2N)C1
InChIInChI=1S/C15H20N6O/c1-3-11(9(2)22)13-6-14(15(18)20-19-13)21-5-4-12(17)10(7-16)8-21/h3,6-7,16,22H,2,4-5,8,17H2,1H3,(H2,18,20)/b11-3+,16-7+
InChIKeyMEUPJVBWJLZHOF-IZQHMAPUSA-N
XLogP1.61
TPSA125.14 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 51.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[6-amino-5-(4-amino-5-methanimidoyl-3,6-dihydro-2H-pyridin-1-yl)pyridazin-3-yl]penta-1,3-dien-2-ol?
The IUPAC name of (3Z)-3-[6-amino-5-(4-amino-5-methanimidoyl-3,6-dihydro-2H-pyridin-1-yl)pyridazin-3-yl]penta-1,3-dien-2-ol (CID 145145518) is (3Z)-3-[6-amino-5-(4-amino-5-methanimidoyl-3,6-dihydro-2H-pyridin-1-yl)pyridazin-3-yl]penta-1,3-dien-2-ol.
What is the SMILES notation for (3Z)-3-[6-amino-5-(4-amino-5-methanimidoyl-3,6-dihydro-2H-pyridin-1-yl)pyridazin-3-yl]penta-1,3-dien-2-ol?
The canonical SMILES for (3Z)-3-[6-amino-5-(4-amino-5-methanimidoyl-3,6-dihydro-2H-pyridin-1-yl)pyridazin-3-yl]penta-1,3-dien-2-ol is [H]/N=C/C1=C(N)CCN(c2cc(/C(=C/C)C(=C)O)nnc2N)C1.
What is the InChIKey of (3Z)-3-[6-amino-5-(4-amino-5-methanimidoyl-3,6-dihydro-2H-pyridin-1-yl)pyridazin-3-yl]penta-1,3-dien-2-ol?
The InChIKey is MEUPJVBWJLZHOF-IZQHMAPUSA-N. The full InChI is InChI=1S/C15H20N6O/c1-3-11(9(2)22)13-6-14(15(18)20-19-13)21-5-4-12(17)10(7-16)8-21/h3,6-7,16,22H,2,4-5,8,17H2,1H3,(H2,18,20)/b11-3+,16-7+.
What are the key properties of (3Z)-3-[6-amino-5-(4-amino-5-methanimidoyl-3,6-dihydro-2H-pyridin-1-yl)pyridazin-3-yl]penta-1,3-dien-2-ol?
(3Z)-3-[6-amino-5-(4-amino-5-methanimidoyl-3,6-dihydro-2H-pyridin-1-yl)pyridazin-3-yl]penta-1,3-dien-2-ol has a molecular weight of 300.37 g/mol, XLogP of 1.61, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[6-amino-5-(4-amino-5-methanimidoyl-3,6-dihydro-2H-pyridin-1-yl)pyridazin-3-yl]penta-1,3-dien-2-ol is sourced from PubChem (CID 145145518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).