6-amino-6-fluoro-5-[4-(1,2,3,6-tetrahydropyridin-4-yl)pyridazin-3-yl]cyclohexa-2,4-dien-1-ol

C15H17FN4O — CID 156703425

IUPAC6-amino-6-fluoro-5-[4-(1,2,3,6-tetrahydropyridin-4-yl)pyridazin-3-yl]cyclohexa-2,4-dien-1-ol
SMILESNC1(F)C(c2nnccc2C2=CCNCC2)=CC=CC1O
InChIInChI=1S/C15H17FN4O/c16-15(17)12(2-1-3-13(15)21)14-11(6-9-19-20-14)10-4-7-18-8-5-10/h1-4,6,9,13,18,21H,5,7-8,17H2
InChIKeyCUPDXTXPZFAURQ-UHFFFAOYSA-N
MW288.33 g/mol
LogP0.79
Rot. Bonds2

About 6-amino-6-fluoro-5-[4-(1,2,3,6-tetrahydropyridin-4-yl)pyridazin-3-yl]cyclohexa-2,4-dien-1-ol

6-amino-6-fluoro-5-[4-(1,2,3,6-tetrahydropyridin-4-yl)pyridazin-3-yl]cyclohexa-2,4-dien-1-ol (PubChem CID 156703425) has the molecular formula C15H17FN4O and a molecular weight of 288.33 g/mol. Its IUPAC name is 6-amino-6-fluoro-5-[4-(1,2,3,6-tetrahydropyridin-4-yl)pyridazin-3-yl]cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name6-amino-6-fluoro-5-[4-(1,2,3,6-tetrahydropyridin-4-yl)pyridazin-3-yl]cyclohexa-2,4-dien-1-ol
PubChem CID156703425
Molecular FormulaC15H17FN4O
Molecular Weight288.33 g/mol
Exact Mass288.14
IUPAC Name6-amino-6-fluoro-5-[4-(1,2,3,6-tetrahydropyridin-4-yl)pyridazin-3-yl]cyclohexa-2,4-dien-1-ol
SMILESNC1(F)C(c2nnccc2C2=CCNCC2)=CC=CC1O
InChIInChI=1S/C15H17FN4O/c16-15(17)12(2-1-3-13(15)21)14-11(6-9-19-20-14)10-4-7-18-8-5-10/h1-4,6,9,13,18,21H,5,7-8,17H2
InChIKeyCUPDXTXPZFAURQ-UHFFFAOYSA-N
XLogP0.79
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-6-fluoro-5-[4-(1,2,3,6-tetrahydropyridin-4-yl)pyridazin-3-yl]cyclohexa-2,4-dien-1-ol?
The IUPAC name of 6-amino-6-fluoro-5-[4-(1,2,3,6-tetrahydropyridin-4-yl)pyridazin-3-yl]cyclohexa-2,4-dien-1-ol (CID 156703425) is 6-amino-6-fluoro-5-[4-(1,2,3,6-tetrahydropyridin-4-yl)pyridazin-3-yl]cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 6-amino-6-fluoro-5-[4-(1,2,3,6-tetrahydropyridin-4-yl)pyridazin-3-yl]cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 6-amino-6-fluoro-5-[4-(1,2,3,6-tetrahydropyridin-4-yl)pyridazin-3-yl]cyclohexa-2,4-dien-1-ol is NC1(F)C(c2nnccc2C2=CCNCC2)=CC=CC1O.
What is the InChIKey of 6-amino-6-fluoro-5-[4-(1,2,3,6-tetrahydropyridin-4-yl)pyridazin-3-yl]cyclohexa-2,4-dien-1-ol?
The InChIKey is CUPDXTXPZFAURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O/c16-15(17)12(2-1-3-13(15)21)14-11(6-9-19-20-14)10-4-7-18-8-5-10/h1-4,6,9,13,18,21H,5,7-8,17H2.
What are the key properties of 6-amino-6-fluoro-5-[4-(1,2,3,6-tetrahydropyridin-4-yl)pyridazin-3-yl]cyclohexa-2,4-dien-1-ol?
6-amino-6-fluoro-5-[4-(1,2,3,6-tetrahydropyridin-4-yl)pyridazin-3-yl]cyclohexa-2,4-dien-1-ol has a molecular weight of 288.33 g/mol, XLogP of 0.79, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-6-fluoro-5-[4-(1,2,3,6-tetrahydropyridin-4-yl)pyridazin-3-yl]cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 156703425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).