6-chloro-3-[(2-pentan-3-yloxan-4-yl)amino]pyridazine-4-carboxamide

C15H23ClN4O2 — CID 133438757

IUPAC6-chloro-3-[(2-pentan-3-yloxan-4-yl)amino]pyridazine-4-carboxamide
SMILESCCC(CC)C1CC(Nc2nnc(Cl)cc2C(N)=O)CCO1
InChIInChI=1S/C15H23ClN4O2/c1-3-9(4-2)12-7-10(5-6-22-12)18-15-11(14(17)21)8-13(16)19-20-15/h8-10,12H,3-7H2,1-2H3,(H2,17,21)(H,18,20)
InChIKeyBZZKFAZPPFSYHT-UHFFFAOYSA-N
MW326.83 g/mol
LogP2.62
Rot. Bonds6

About 6-chloro-3-[(2-pentan-3-yloxan-4-yl)amino]pyridazine-4-carboxamide

6-chloro-3-[(2-pentan-3-yloxan-4-yl)amino]pyridazine-4-carboxamide (PubChem CID 133438757) has the molecular formula C15H23ClN4O2 and a molecular weight of 326.83 g/mol. Its IUPAC name is 6-chloro-3-[(2-pentan-3-yloxan-4-yl)amino]pyridazine-4-carboxamide.

Molecular Properties

Compound Name6-chloro-3-[(2-pentan-3-yloxan-4-yl)amino]pyridazine-4-carboxamide
PubChem CID133438757
Molecular FormulaC15H23ClN4O2
Molecular Weight326.83 g/mol
Exact Mass326.15
IUPAC Name6-chloro-3-[(2-pentan-3-yloxan-4-yl)amino]pyridazine-4-carboxamide
SMILESCCC(CC)C1CC(Nc2nnc(Cl)cc2C(N)=O)CCO1
InChIInChI=1S/C15H23ClN4O2/c1-3-9(4-2)12-7-10(5-6-22-12)18-15-11(14(17)21)8-13(16)19-20-15/h8-10,12H,3-7H2,1-2H3,(H2,17,21)(H,18,20)
InChIKeyBZZKFAZPPFSYHT-UHFFFAOYSA-N
XLogP2.62
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-(2-pentan-3-yloxan-4-yl)pyrimidin-2-amine
CID 133461839
1-ethyl-3-[(2-pentan-3-yloxan-4-yl)amino]pyrazin-2-one
CID 133439346
2-[(2-pentan-3-yloxan-4-yl)amino]pyridine-3-sulfonamide
CID 133440405
N-[(2R,4S)-2-pentan-3-yloxan-4-yl]pyridine-4-carboxamide
CID 99781873
1-tert-butyl-N-(2-pentan-3-yloxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 133440412
6-[(2-pentan-3-yloxan-4-yl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133461877
6-chloro-3-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]amino]pyridazine-4-carboxamide
CID 133358123
6-chloro-3-[(3-ethoxyspiro[3.4]octan-1-yl)amino]pyridazine-4-carboxamide
CID 133341301
6-methyl-5-nitro-N-(2-pentan-3-yloxan-4-yl)pyridin-2-amine
CID 133440404
6-chloro-3-[[1-(cyclopentylmethyl)pyrrolidin-3-yl]amino]pyridazine-4-carboxamide
CID 133341225
3-nitro-2-[(2-pentan-3-yloxan-4-yl)amino]pyridine-4-carbonitrile
CID 133441647
3-chloro-5-[(2-pentan-3-yloxan-4-yl)amino]-1,2-thiazole-4-carbonitrile
CID 133461870

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(2-pentan-3-yloxan-4-yl)amino]pyridazine-4-carboxamide?
The IUPAC name of 6-chloro-3-[(2-pentan-3-yloxan-4-yl)amino]pyridazine-4-carboxamide (CID 133438757) is 6-chloro-3-[(2-pentan-3-yloxan-4-yl)amino]pyridazine-4-carboxamide.
What is the SMILES notation for 6-chloro-3-[(2-pentan-3-yloxan-4-yl)amino]pyridazine-4-carboxamide?
The canonical SMILES for 6-chloro-3-[(2-pentan-3-yloxan-4-yl)amino]pyridazine-4-carboxamide is CCC(CC)C1CC(Nc2nnc(Cl)cc2C(N)=O)CCO1.
What is the InChIKey of 6-chloro-3-[(2-pentan-3-yloxan-4-yl)amino]pyridazine-4-carboxamide?
The InChIKey is BZZKFAZPPFSYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN4O2/c1-3-9(4-2)12-7-10(5-6-22-12)18-15-11(14(17)21)8-13(16)19-20-15/h8-10,12H,3-7H2,1-2H3,(H2,17,21)(H,18,20).
What are the key properties of 6-chloro-3-[(2-pentan-3-yloxan-4-yl)amino]pyridazine-4-carboxamide?
6-chloro-3-[(2-pentan-3-yloxan-4-yl)amino]pyridazine-4-carboxamide has a molecular weight of 326.83 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[(2-pentan-3-yloxan-4-yl)amino]pyridazine-4-carboxamide is sourced from PubChem (CID 133438757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).