N-[(2R)-1-hydroxypropan-2-yl]-3,6-dimethylpyridazine-4-carboxamide

C10H15N3O2 — CID 104671187

IUPACN-[(2R)-1-hydroxypropan-2-yl]-3,6-dimethylpyridazine-4-carboxamide
SMILESCc1cc(C(=O)N[C@H](C)CO)c(C)nn1
InChIInChI=1S/C10H15N3O2/c1-6-4-9(8(3)13-12-6)10(15)11-7(2)5-14/h4,7,14H,5H2,1-3H3,(H,11,15)/t7-/m1/s1
InChIKeyQBTZORXVUVTSII-SSDOTTSWSA-N
MW209.25 g/mol
LogP0.20
Rot. Bonds3

About N-[(2R)-1-hydroxypropan-2-yl]-3,6-dimethylpyridazine-4-carboxamide

N-[(2R)-1-hydroxypropan-2-yl]-3,6-dimethylpyridazine-4-carboxamide (PubChem CID 104671187) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is N-[(2R)-1-hydroxypropan-2-yl]-3,6-dimethylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxypropan-2-yl]-3,6-dimethylpyridazine-4-carboxamide
PubChem CID104671187
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC NameN-[(2R)-1-hydroxypropan-2-yl]-3,6-dimethylpyridazine-4-carboxamide
SMILESCc1cc(C(=O)N[C@H](C)CO)c(C)nn1
InChIInChI=1S/C10H15N3O2/c1-6-4-9(8(3)13-12-6)10(15)11-7(2)5-14/h4,7,14H,5H2,1-3H3,(H,11,15)/t7-/m1/s1
InChIKeyQBTZORXVUVTSII-SSDOTTSWSA-N
XLogP0.20
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-hydroxypentan-2-yl)-3,6-dimethylpyridazine-4-carboxamide
CID 112548731
N-(4-aminobutan-2-yl)-3,6-dimethylpyridazine-4-carboxamide
CID 104668957
N-(4-aminopentan-2-yl)-3,6-dimethylpyridazine-4-carboxamide
CID 113439579
N-(1-hydroxybutan-2-yl)-3,6-dimethylpyridazine-4-carboxamide
CID 115875451
3,6-dimethyl-N-(3-oxobutan-2-yl)pyridazine-4-carboxamide
CID 104670537
methyl 2-[(3,6-dimethylpyridazine-4-carbonyl)amino]propanoate
CID 104671773
N-(1-bromo-3-methylbutan-2-yl)-3,6-dimethylpyridazine-4-carboxamide
CID 104672746
N-[(1S)-2-hydroxy-1-phenylethyl]-3,6-dimethylpyridazine-4-carboxamide
CID 103878997
N-(1-bromo-4-methylpentan-3-yl)-3,6-dimethylpyridazine-4-carboxamide
CID 106355201
N-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)-3,6-dimethylpyridazine-4-carboxamide
CID 104670487
N-(1-aminobutan-2-yl)-3,6-dimethylpyridazine-4-carboxamide
CID 104671527
N-(3-amino-2-hydroxy-3-oxopropyl)-3,6-dimethylpyridazine-4-carboxamide
CID 114152443

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxypropan-2-yl]-3,6-dimethylpyridazine-4-carboxamide?
The IUPAC name of N-[(2R)-1-hydroxypropan-2-yl]-3,6-dimethylpyridazine-4-carboxamide (CID 104671187) is N-[(2R)-1-hydroxypropan-2-yl]-3,6-dimethylpyridazine-4-carboxamide.
What is the SMILES notation for N-[(2R)-1-hydroxypropan-2-yl]-3,6-dimethylpyridazine-4-carboxamide?
The canonical SMILES for N-[(2R)-1-hydroxypropan-2-yl]-3,6-dimethylpyridazine-4-carboxamide is Cc1cc(C(=O)N[C@H](C)CO)c(C)nn1.
What is the InChIKey of N-[(2R)-1-hydroxypropan-2-yl]-3,6-dimethylpyridazine-4-carboxamide?
The InChIKey is QBTZORXVUVTSII-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-6-4-9(8(3)13-12-6)10(15)11-7(2)5-14/h4,7,14H,5H2,1-3H3,(H,11,15)/t7-/m1/s1.
What are the key properties of N-[(2R)-1-hydroxypropan-2-yl]-3,6-dimethylpyridazine-4-carboxamide?
N-[(2R)-1-hydroxypropan-2-yl]-3,6-dimethylpyridazine-4-carboxamide has a molecular weight of 209.25 g/mol, XLogP of 0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxypropan-2-yl]-3,6-dimethylpyridazine-4-carboxamide is sourced from PubChem (CID 104671187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).