N,5,5-trimethylchromeno[4,3-c]pyridazin-3-amine

C14H15N3O — CID 81137745

IUPACN,5,5-trimethylchromeno[4,3-c]pyridazin-3-amine
SMILESCNc1cc2c(nn1)-c1ccccc1OC2(C)C
InChIInChI=1S/C14H15N3O/c1-14(2)10-8-12(15-3)16-17-13(10)9-6-4-5-7-11(9)18-14/h4-8H,1-3H3,(H,15,16)
InChIKeyCKZNWEXMKKZRLG-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.81
Rot. Bonds1

About N,5,5-trimethylchromeno[4,3-c]pyridazin-3-amine

N,5,5-trimethylchromeno[4,3-c]pyridazin-3-amine (PubChem CID 81137745) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is N,5,5-trimethylchromeno[4,3-c]pyridazin-3-amine.

Molecular Properties

Compound NameN,5,5-trimethylchromeno[4,3-c]pyridazin-3-amine
PubChem CID81137745
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC NameN,5,5-trimethylchromeno[4,3-c]pyridazin-3-amine
SMILESCNc1cc2c(nn1)-c1ccccc1OC2(C)C
InChIInChI=1S/C14H15N3O/c1-14(2)10-8-12(15-3)16-17-13(10)9-6-4-5-7-11(9)18-14/h4-8H,1-3H3,(H,15,16)
InChIKeyCKZNWEXMKKZRLG-UHFFFAOYSA-N
XLogP2.81
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N,5,5-trimethylchromeno[4,3-c]pyridazin-3-amine 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 N,5,5-trimethylchromeno[4,3-c]pyridazin-3-amine?
The IUPAC name of N,5,5-trimethylchromeno[4,3-c]pyridazin-3-amine (CID 81137745) is N,5,5-trimethylchromeno[4,3-c]pyridazin-3-amine.
What is the SMILES notation for N,5,5-trimethylchromeno[4,3-c]pyridazin-3-amine?
The canonical SMILES for N,5,5-trimethylchromeno[4,3-c]pyridazin-3-amine is CNc1cc2c(nn1)-c1ccccc1OC2(C)C.
What is the InChIKey of N,5,5-trimethylchromeno[4,3-c]pyridazin-3-amine?
The InChIKey is CKZNWEXMKKZRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-14(2)10-8-12(15-3)16-17-13(10)9-6-4-5-7-11(9)18-14/h4-8H,1-3H3,(H,15,16).
What are the key properties of N,5,5-trimethylchromeno[4,3-c]pyridazin-3-amine?
N,5,5-trimethylchromeno[4,3-c]pyridazin-3-amine has a molecular weight of 241.29 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,5,5-trimethylchromeno[4,3-c]pyridazin-3-amine is sourced from PubChem (CID 81137745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).