6-chloro-3-[(3-methoxy-2,2,3-trimethylcyclobutyl)amino]pyridazine-4-carboxamide

C13H19ClN4O2 — CID 133341407

IUPAC6-chloro-3-[(3-methoxy-2,2,3-trimethylcyclobutyl)amino]pyridazine-4-carboxamide
SMILESCOC1(C)CC(Nc2nnc(Cl)cc2C(N)=O)C1(C)C
InChIInChI=1S/C13H19ClN4O2/c1-12(2)8(6-13(12,3)20-4)16-11-7(10(15)19)5-9(14)17-18-11/h5,8H,6H2,1-4H3,(H2,15,19)(H,16,18)
InChIKeyQHUPTZDSWIGLHN-UHFFFAOYSA-N
MW298.77 g/mol
LogP1.84
Rot. Bonds4

About 6-chloro-3-[(3-methoxy-2,2,3-trimethylcyclobutyl)amino]pyridazine-4-carboxamide

6-chloro-3-[(3-methoxy-2,2,3-trimethylcyclobutyl)amino]pyridazine-4-carboxamide (PubChem CID 133341407) has the molecular formula C13H19ClN4O2 and a molecular weight of 298.77 g/mol. Its IUPAC name is 6-chloro-3-[(3-methoxy-2,2,3-trimethylcyclobutyl)amino]pyridazine-4-carboxamide.

Molecular Properties

Compound Name6-chloro-3-[(3-methoxy-2,2,3-trimethylcyclobutyl)amino]pyridazine-4-carboxamide
PubChem CID133341407
Molecular FormulaC13H19ClN4O2
Molecular Weight298.77 g/mol
Exact Mass298.12
IUPAC Name6-chloro-3-[(3-methoxy-2,2,3-trimethylcyclobutyl)amino]pyridazine-4-carboxamide
SMILESCOC1(C)CC(Nc2nnc(Cl)cc2C(N)=O)C1(C)C
InChIInChI=1S/C13H19ClN4O2/c1-12(2)8(6-13(12,3)20-4)16-11-7(10(15)19)5-9(14)17-18-11/h5,8H,6H2,1-4H3,(H2,15,19)(H,16,18)
InChIKeyQHUPTZDSWIGLHN-UHFFFAOYSA-N
XLogP1.84
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-chloro-3-[(3-methoxy-2,2,3-trimethylcyclobutyl)amino]pyridazine-4-carboxamide with MolForge

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Related Compounds

6-chloro-3-[(3-ethoxyspiro[3.4]octan-1-yl)amino]pyridazine-4-carboxamide
CID 133341301
5-chloro-6-[(3-methoxy-2,2,3-trimethylcyclobutyl)amino]pyridine-3-carbonitrile
CID 166217651
3-[[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]amino]pyrazine-2-carbonitrile
CID 95971216
6-chloro-3-[(1-propylcyclopropyl)methylamino]pyridazine-4-carboxamide
CID 133380543
3-[[(1S)-2,2-dimethylcyclopropyl]amino]pyridazine-4-carboxylic acid
CID 124512624
N-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-7H-purin-6-amine
CID 95971222
6-chloro-3-[(2-pentan-3-yloxan-4-yl)amino]pyridazine-4-carboxamide
CID 133438757
6-chloro-3-[[1-(cyclopentylmethyl)pyrrolidin-3-yl]amino]pyridazine-4-carboxamide
CID 133341225
ethyl 6-chloro-3-(methylamino)pyridazine-4-carboxylate
CID 77231539
1-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 95931426
2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]pyridine-3-carboxamide
CID 103742713
6-chloro-3-[(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)amino]pyridazine-4-carboxamide
CID 133446450

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(3-methoxy-2,2,3-trimethylcyclobutyl)amino]pyridazine-4-carboxamide?
The IUPAC name of 6-chloro-3-[(3-methoxy-2,2,3-trimethylcyclobutyl)amino]pyridazine-4-carboxamide (CID 133341407) is 6-chloro-3-[(3-methoxy-2,2,3-trimethylcyclobutyl)amino]pyridazine-4-carboxamide.
What is the SMILES notation for 6-chloro-3-[(3-methoxy-2,2,3-trimethylcyclobutyl)amino]pyridazine-4-carboxamide?
The canonical SMILES for 6-chloro-3-[(3-methoxy-2,2,3-trimethylcyclobutyl)amino]pyridazine-4-carboxamide is COC1(C)CC(Nc2nnc(Cl)cc2C(N)=O)C1(C)C.
What is the InChIKey of 6-chloro-3-[(3-methoxy-2,2,3-trimethylcyclobutyl)amino]pyridazine-4-carboxamide?
The InChIKey is QHUPTZDSWIGLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O2/c1-12(2)8(6-13(12,3)20-4)16-11-7(10(15)19)5-9(14)17-18-11/h5,8H,6H2,1-4H3,(H2,15,19)(H,16,18).
What are the key properties of 6-chloro-3-[(3-methoxy-2,2,3-trimethylcyclobutyl)amino]pyridazine-4-carboxamide?
6-chloro-3-[(3-methoxy-2,2,3-trimethylcyclobutyl)amino]pyridazine-4-carboxamide has a molecular weight of 298.77 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[(3-methoxy-2,2,3-trimethylcyclobutyl)amino]pyridazine-4-carboxamide is sourced from PubChem (CID 133341407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).