4-[[6-(1H-pyrrol-3-yl)pyridazin-3-yl]amino]cyclohexan-1-ol

C14H18N4O — CID 116972281

IUPAC4-[[6-(1H-pyrrol-3-yl)pyridazin-3-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2ccc(-c3cc[nH]c3)nn2)CC1
InChIInChI=1S/C14H18N4O/c19-12-3-1-11(2-4-12)16-14-6-5-13(17-18-14)10-7-8-15-9-10/h5-9,11-12,15,19H,1-4H2,(H,16,18)
InChIKeyWYORDBHBTRLTRD-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.19
Rot. Bonds3

About 4-[[6-(1H-pyrrol-3-yl)pyridazin-3-yl]amino]cyclohexan-1-ol

4-[[6-(1H-pyrrol-3-yl)pyridazin-3-yl]amino]cyclohexan-1-ol (PubChem CID 116972281) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-[[6-(1H-pyrrol-3-yl)pyridazin-3-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[6-(1H-pyrrol-3-yl)pyridazin-3-yl]amino]cyclohexan-1-ol
PubChem CID116972281
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name4-[[6-(1H-pyrrol-3-yl)pyridazin-3-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2ccc(-c3cc[nH]c3)nn2)CC1
InChIInChI=1S/C14H18N4O/c19-12-3-1-11(2-4-12)16-14-6-5-13(17-18-14)10-7-8-15-9-10/h5-9,11-12,15,19H,1-4H2,(H,16,18)
InChIKeyWYORDBHBTRLTRD-UHFFFAOYSA-N
XLogP2.19
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[[6-(1H-pyrrol-3-yl)pyridazin-3-yl]amino]cyclohexan-1-ol 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 4-[[6-(1H-pyrrol-3-yl)pyridazin-3-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[6-(1H-pyrrol-3-yl)pyridazin-3-yl]amino]cyclohexan-1-ol (CID 116972281) is 4-[[6-(1H-pyrrol-3-yl)pyridazin-3-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[6-(1H-pyrrol-3-yl)pyridazin-3-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[6-(1H-pyrrol-3-yl)pyridazin-3-yl]amino]cyclohexan-1-ol is OC1CCC(Nc2ccc(-c3cc[nH]c3)nn2)CC1.
What is the InChIKey of 4-[[6-(1H-pyrrol-3-yl)pyridazin-3-yl]amino]cyclohexan-1-ol?
The InChIKey is WYORDBHBTRLTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c19-12-3-1-11(2-4-12)16-14-6-5-13(17-18-14)10-7-8-15-9-10/h5-9,11-12,15,19H,1-4H2,(H,16,18).
What are the key properties of 4-[[6-(1H-pyrrol-3-yl)pyridazin-3-yl]amino]cyclohexan-1-ol?
4-[[6-(1H-pyrrol-3-yl)pyridazin-3-yl]amino]cyclohexan-1-ol has a molecular weight of 258.32 g/mol, XLogP of 2.19, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(1H-pyrrol-3-yl)pyridazin-3-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 116972281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).