6-chloro-3-[(4-hydroxy-2-methylpentyl)amino]pyridazine-4-carboxamide

C11H17ClN4O2 — CID 133340707

IUPAC6-chloro-3-[(4-hydroxy-2-methylpentyl)amino]pyridazine-4-carboxamide
SMILESCC(O)CC(C)CNc1nnc(Cl)cc1C(N)=O
InChIInChI=1S/C11H17ClN4O2/c1-6(3-7(2)17)5-14-11-8(10(13)18)4-9(12)15-16-11/h4,6-7,17H,3,5H2,1-2H3,(H2,13,18)(H,14,16)
InChIKeyWDFIOUKMKDKSAC-UHFFFAOYSA-N
MW272.74 g/mol
LogP1.05
Rot. Bonds6

About 6-chloro-3-[(4-hydroxy-2-methylpentyl)amino]pyridazine-4-carboxamide

6-chloro-3-[(4-hydroxy-2-methylpentyl)amino]pyridazine-4-carboxamide (PubChem CID 133340707) has the molecular formula C11H17ClN4O2 and a molecular weight of 272.74 g/mol. Its IUPAC name is 6-chloro-3-[(4-hydroxy-2-methylpentyl)amino]pyridazine-4-carboxamide.

Molecular Properties

Compound Name6-chloro-3-[(4-hydroxy-2-methylpentyl)amino]pyridazine-4-carboxamide
PubChem CID133340707
Molecular FormulaC11H17ClN4O2
Molecular Weight272.74 g/mol
Exact Mass272.10
IUPAC Name6-chloro-3-[(4-hydroxy-2-methylpentyl)amino]pyridazine-4-carboxamide
SMILESCC(O)CC(C)CNc1nnc(Cl)cc1C(N)=O
InChIInChI=1S/C11H17ClN4O2/c1-6(3-7(2)17)5-14-11-8(10(13)18)4-9(12)15-16-11/h4,6-7,17H,3,5H2,1-2H3,(H2,13,18)(H,14,16)
InChIKeyWDFIOUKMKDKSAC-UHFFFAOYSA-N
XLogP1.05
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-3-[(4-hydroxy-2-methylbutyl)amino]pyridazine-4-carboxamide
CID 133341299
6-chloro-3-[2-(3-methylphenoxy)propylamino]pyridazine-4-carboxamide
CID 133341092
6-chloro-3-[(1-propylcyclopropyl)methylamino]pyridazine-4-carboxamide
CID 133380543
6-chloro-4-(2-hydroxypropylamino)pyridine-3-carboxamide
CID 146277774
6-chloro-3-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methylamino]pyridazine-4-carboxamide
CID 133417486
3-[1-(3-bromophenyl)propan-2-ylamino]-6-chloropyridazine-4-carboxamide
CID 133399661
6-chloro-3-[2-[3-(methylcarbamoyl)phenyl]ethylamino]pyridazine-4-carboxamide
CID 133340689
2,5-dichloro-N-(4-hydroxy-2-methylpentyl)thiophene-3-carboxamide
CID 111447072
2-[(3-hydroxy-2-methylpropyl)amino]pyridine-3-carboxamide
CID 61360383
ethyl 6-chloro-3-(methylamino)pyridazine-4-carboxylate
CID 77231539
6-methyl-2-[[2-methyl-3-(methylamino)propyl]amino]pyridine-3-carboxamide
CID 115303139
2-[[2-methyl-3-(methylamino)propyl]amino]-5-nitropyridine-3-carboxamide
CID 115303189

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(4-hydroxy-2-methylpentyl)amino]pyridazine-4-carboxamide?
The IUPAC name of 6-chloro-3-[(4-hydroxy-2-methylpentyl)amino]pyridazine-4-carboxamide (CID 133340707) is 6-chloro-3-[(4-hydroxy-2-methylpentyl)amino]pyridazine-4-carboxamide.
What is the SMILES notation for 6-chloro-3-[(4-hydroxy-2-methylpentyl)amino]pyridazine-4-carboxamide?
The canonical SMILES for 6-chloro-3-[(4-hydroxy-2-methylpentyl)amino]pyridazine-4-carboxamide is CC(O)CC(C)CNc1nnc(Cl)cc1C(N)=O.
What is the InChIKey of 6-chloro-3-[(4-hydroxy-2-methylpentyl)amino]pyridazine-4-carboxamide?
The InChIKey is WDFIOUKMKDKSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O2/c1-6(3-7(2)17)5-14-11-8(10(13)18)4-9(12)15-16-11/h4,6-7,17H,3,5H2,1-2H3,(H2,13,18)(H,14,16).
What are the key properties of 6-chloro-3-[(4-hydroxy-2-methylpentyl)amino]pyridazine-4-carboxamide?
6-chloro-3-[(4-hydroxy-2-methylpentyl)amino]pyridazine-4-carboxamide has a molecular weight of 272.74 g/mol, XLogP of 1.05, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[(4-hydroxy-2-methylpentyl)amino]pyridazine-4-carboxamide is sourced from PubChem (CID 133340707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).