6-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridazine-3-carboxamide

C13H18ClN3O — CID 79357896

IUPAC6-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridazine-3-carboxamide
SMILESCC1(C)C(CNC(=O)c2ccc(Cl)nn2)C1(C)C
InChIInChI=1S/C13H18ClN3O/c1-12(2)9(13(12,3)4)7-15-11(18)8-5-6-10(14)17-16-8/h5-6,9H,7H2,1-4H3,(H,15,18)
InChIKeyFYFPIGKDCRJTSC-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.54
Rot. Bonds3

About 6-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridazine-3-carboxamide

6-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridazine-3-carboxamide (PubChem CID 79357896) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 6-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridazine-3-carboxamide
PubChem CID79357896
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name6-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridazine-3-carboxamide
SMILESCC1(C)C(CNC(=O)c2ccc(Cl)nn2)C1(C)C
InChIInChI=1S/C13H18ClN3O/c1-12(2)9(13(12,3)4)7-15-11(18)8-5-6-10(14)17-16-8/h5-6,9H,7H2,1-4H3,(H,15,18)
InChIKeyFYFPIGKDCRJTSC-UHFFFAOYSA-N
XLogP2.54
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-(oxan-4-ylmethyl)pyridazine-3-carboxamide
CID 63712476
6-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-3-carboxamide
CID 79359056
5-bromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-2-carboxamide
CID 79351145
6-chloro-N-[(4-hydroxycyclohexyl)methyl]pyridazine-3-carboxamide
CID 114146608
2-chloro-6-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-4-carboxamide
CID 114219602
6-chloro-N-[(3-hydroxycyclopentyl)methyl]pyridazine-3-carboxamide
CID 106120095
6-chloropyridazine-3-carbohydrazide
CID 10080848
6-chloro-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide
CID 60859027
6-chloro-N-(oxolan-3-ylmethyl)pyridazine-3-carboxamide
CID 61052267
N-(3-amino-2,2-dimethyl-3-oxopropyl)-6-chloropyridazine-3-carboxamide
CID 106276043
6-chloro-N-(4-hydroxy-2,2-dimethylbutyl)pyridazine-3-carboxamide
CID 106140440
6-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridazine-3-carboxamide
CID 114146199

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridazine-3-carboxamide?
The IUPAC name of 6-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridazine-3-carboxamide (CID 79357896) is 6-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridazine-3-carboxamide is CC1(C)C(CNC(=O)c2ccc(Cl)nn2)C1(C)C.
What is the InChIKey of 6-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridazine-3-carboxamide?
The InChIKey is FYFPIGKDCRJTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c1-12(2)9(13(12,3)4)7-15-11(18)8-5-6-10(14)17-16-8/h5-6,9H,7H2,1-4H3,(H,15,18).
What are the key properties of 6-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridazine-3-carboxamide?
6-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridazine-3-carboxamide has a molecular weight of 267.76 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridazine-3-carboxamide is sourced from PubChem (CID 79357896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).