6-chloro-3-[(1-propylcyclopropyl)methylamino]pyridazine-4-carboxamide

C12H17ClN4O — CID 133380543

IUPAC6-chloro-3-[(1-propylcyclopropyl)methylamino]pyridazine-4-carboxamide
SMILESCCCC1(CNc2nnc(Cl)cc2C(N)=O)CC1
InChIInChI=1S/C12H17ClN4O/c1-2-3-12(4-5-12)7-15-11-8(10(14)18)6-9(13)16-17-11/h6H,2-5,7H2,1H3,(H2,14,18)(H,15,17)
InChIKeyIUOJUDPUZNFEME-UHFFFAOYSA-N
MW268.75 g/mol
LogP2.22
Rot. Bonds6

About 6-chloro-3-[(1-propylcyclopropyl)methylamino]pyridazine-4-carboxamide

6-chloro-3-[(1-propylcyclopropyl)methylamino]pyridazine-4-carboxamide (PubChem CID 133380543) has the molecular formula C12H17ClN4O and a molecular weight of 268.75 g/mol. Its IUPAC name is 6-chloro-3-[(1-propylcyclopropyl)methylamino]pyridazine-4-carboxamide.

Molecular Properties

Compound Name6-chloro-3-[(1-propylcyclopropyl)methylamino]pyridazine-4-carboxamide
PubChem CID133380543
Molecular FormulaC12H17ClN4O
Molecular Weight268.75 g/mol
Exact Mass268.11
IUPAC Name6-chloro-3-[(1-propylcyclopropyl)methylamino]pyridazine-4-carboxamide
SMILESCCCC1(CNc2nnc(Cl)cc2C(N)=O)CC1
InChIInChI=1S/C12H17ClN4O/c1-2-3-12(4-5-12)7-15-11-8(10(14)18)6-9(13)16-17-11/h6H,2-5,7H2,1H3,(H2,14,18)(H,15,17)
InChIKeyIUOJUDPUZNFEME-UHFFFAOYSA-N
XLogP2.22
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.75
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(1-propylcyclopropyl)methylamino]pyridazine-3-carboxamide
CID 113256808
5-chloro-6-[(1-propylcyclopropyl)methylamino]pyridine-3-carboxylic acid
CID 114100477
3-chloro-4-[(1-propylcyclopropyl)methylamino]benzenecarbothioamide
CID 114100294
2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-5,6-dimethylpyridine-3-carboxamide
CID 131918603
6-chloro-3-[(4-hydroxy-2-methylbutyl)amino]pyridazine-4-carboxamide
CID 133341299
6-chloro-3-[(4-hydroxy-2-methylpentyl)amino]pyridazine-4-carboxamide
CID 133340707
5-chloro-4-[(1-propylcyclopropyl)methylamino]-1H-pyrimidin-6-one
CID 136852233
6-chloro-3-[(3-ethoxyspiro[3.4]octan-1-yl)amino]pyridazine-4-carboxamide
CID 133341301
ethyl 6-chloro-3-(methylamino)pyridazine-4-carboxylate
CID 77231539
N-ethyl-6-[(1-propylcyclopropyl)methylamino]pyridazine-3-carboxamide
CID 103761722
3-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyrazine-2-carbothioamide
CID 114112950
6-chloro-3-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methylamino]pyridazine-4-carboxamide
CID 133417486

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(1-propylcyclopropyl)methylamino]pyridazine-4-carboxamide?
The IUPAC name of 6-chloro-3-[(1-propylcyclopropyl)methylamino]pyridazine-4-carboxamide (CID 133380543) is 6-chloro-3-[(1-propylcyclopropyl)methylamino]pyridazine-4-carboxamide.
What is the SMILES notation for 6-chloro-3-[(1-propylcyclopropyl)methylamino]pyridazine-4-carboxamide?
The canonical SMILES for 6-chloro-3-[(1-propylcyclopropyl)methylamino]pyridazine-4-carboxamide is CCCC1(CNc2nnc(Cl)cc2C(N)=O)CC1.
What is the InChIKey of 6-chloro-3-[(1-propylcyclopropyl)methylamino]pyridazine-4-carboxamide?
The InChIKey is IUOJUDPUZNFEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O/c1-2-3-12(4-5-12)7-15-11-8(10(14)18)6-9(13)16-17-11/h6H,2-5,7H2,1H3,(H2,14,18)(H,15,17).
What are the key properties of 6-chloro-3-[(1-propylcyclopropyl)methylamino]pyridazine-4-carboxamide?
6-chloro-3-[(1-propylcyclopropyl)methylamino]pyridazine-4-carboxamide has a molecular weight of 268.75 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[(1-propylcyclopropyl)methylamino]pyridazine-4-carboxamide is sourced from PubChem (CID 133380543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).