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

C10H15ClN4O2 — CID 133341299

IUPAC6-chloro-3-[(4-hydroxy-2-methylbutyl)amino]pyridazine-4-carboxamide
SMILESCC(CCO)CNc1nnc(Cl)cc1C(N)=O
InChIInChI=1S/C10H15ClN4O2/c1-6(2-3-16)5-13-10-7(9(12)17)4-8(11)14-15-10/h4,6,16H,2-3,5H2,1H3,(H2,12,17)(H,13,15)
InChIKeyZRTLQJNIGSITBZ-UHFFFAOYSA-N
MW258.71 g/mol
LogP0.66
Rot. Bonds6

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

6-chloro-3-[(4-hydroxy-2-methylbutyl)amino]pyridazine-4-carboxamide (PubChem CID 133341299) has the molecular formula C10H15ClN4O2 and a molecular weight of 258.71 g/mol. Its IUPAC name is 6-chloro-3-[(4-hydroxy-2-methylbutyl)amino]pyridazine-4-carboxamide.

Molecular Properties

Compound Name6-chloro-3-[(4-hydroxy-2-methylbutyl)amino]pyridazine-4-carboxamide
PubChem CID133341299
Molecular FormulaC10H15ClN4O2
Molecular Weight258.71 g/mol
Exact Mass258.09
IUPAC Name6-chloro-3-[(4-hydroxy-2-methylbutyl)amino]pyridazine-4-carboxamide
SMILESCC(CCO)CNc1nnc(Cl)cc1C(N)=O
InChIInChI=1S/C10H15ClN4O2/c1-6(2-3-16)5-13-10-7(9(12)17)4-8(11)14-15-10/h4,6,16H,2-3,5H2,1H3,(H2,12,17)(H,13,15)
InChIKeyZRTLQJNIGSITBZ-UHFFFAOYSA-N
XLogP0.66
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-Chloro-3-[[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]amino]pyridazine-4-carboxamide
CID 133340882
6-Chloro-3-(2,2-difluoroethylamino)pyridazine-4-carboxamide
CID 133341388
6-Chloro-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]pyridazine-4-carboxamide
CID 133371407
6-Chloro-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]pyridazine-4-carboxamide
CID 133486783
3-chloro-6-methyl-8,9-dihydro-7H-pyridazino[3,4-e][1,4]diazepin-5-one
CID 145492076
N-(6-Chloro-5-formylpyridazin-3-yl)pivalamide
CID 154642721
6-chloro-3-[[(2R)-2-hydroxypropyl]amino]-N,N-dimethylpyridazine-4-carboxamide
CID 168092891
6-Chloro-3-[3-(hydroxymethyl)azetidin-1-yl]pyridazine-4-carbaldehyde
CID 169683821
3-Chloro-6-(2,2-dimethylpropanoylamino)pyridazine-4-carboxamide
CID 172694751
6-Chloro-3-(pentan-3-ylamino)pyridazine-4-carboxylic acid
CID 177978647
6-Chloro-3-(pyrrolidin-1-yl)pyridazine-4-carboxamide
CID 12370926
6-Chloro-3-piperidin-1-ylpyridazine-4-carboxamide
CID 12370927

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(4-hydroxy-2-methylbutyl)amino]pyridazine-4-carboxamide?
The IUPAC name of 6-chloro-3-[(4-hydroxy-2-methylbutyl)amino]pyridazine-4-carboxamide (CID 133341299) is 6-chloro-3-[(4-hydroxy-2-methylbutyl)amino]pyridazine-4-carboxamide.
What is the SMILES notation for 6-chloro-3-[(4-hydroxy-2-methylbutyl)amino]pyridazine-4-carboxamide?
The canonical SMILES for 6-chloro-3-[(4-hydroxy-2-methylbutyl)amino]pyridazine-4-carboxamide is CC(CCO)CNc1nnc(Cl)cc1C(N)=O.
What is the InChIKey of 6-chloro-3-[(4-hydroxy-2-methylbutyl)amino]pyridazine-4-carboxamide?
The InChIKey is ZRTLQJNIGSITBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O2/c1-6(2-3-16)5-13-10-7(9(12)17)4-8(11)14-15-10/h4,6,16H,2-3,5H2,1H3,(H2,12,17)(H,13,15).
What are the key properties of 6-chloro-3-[(4-hydroxy-2-methylbutyl)amino]pyridazine-4-carboxamide?
6-chloro-3-[(4-hydroxy-2-methylbutyl)amino]pyridazine-4-carboxamide has a molecular weight of 258.71 g/mol, XLogP of 0.66, 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-methylbutyl)amino]pyridazine-4-carboxamide is sourced from PubChem (CID 133341299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).