N-[6-(2-methylpropylamino)pyridazin-3-yl]cyclopropanecarboxamide

C12H18N4O — CID 113038436

IUPACN-[6-(2-methylpropylamino)pyridazin-3-yl]cyclopropanecarboxamide
SMILESCC(C)CNc1ccc(NC(=O)C2CC2)nn1
InChIInChI=1S/C12H18N4O/c1-8(2)7-13-10-5-6-11(16-15-10)14-12(17)9-3-4-9/h5-6,8-9H,3-4,7H2,1-2H3,(H,13,15)(H,14,16,17)
InChIKeyVJEHBHIHGNBUSO-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.89
Rot. Bonds5

About N-[6-(2-methylpropylamino)pyridazin-3-yl]cyclopropanecarboxamide

N-[6-(2-methylpropylamino)pyridazin-3-yl]cyclopropanecarboxamide (PubChem CID 113038436) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is N-[6-(2-methylpropylamino)pyridazin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-(2-methylpropylamino)pyridazin-3-yl]cyclopropanecarboxamide
PubChem CID113038436
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC NameN-[6-(2-methylpropylamino)pyridazin-3-yl]cyclopropanecarboxamide
SMILESCC(C)CNc1ccc(NC(=O)C2CC2)nn1
InChIInChI=1S/C12H18N4O/c1-8(2)7-13-10-5-6-11(16-15-10)14-12(17)9-3-4-9/h5-6,8-9H,3-4,7H2,1-2H3,(H,13,15)(H,14,16,17)
InChIKeyVJEHBHIHGNBUSO-UHFFFAOYSA-N
XLogP1.89
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(2-methylpropylamino)pyridazin-3-yl]benzamide
CID 113038445
N-[6-(2-methylpropylamino)pyridazin-3-yl]-2,2-diphenylacetamide
CID 113038462
N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]cyclopropanecarboxamide
CID 113041596
N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]cyclopropanecarboxamide
CID 113041743
N-[6-(butan-2-ylamino)pyridazin-3-yl]cyclohexanecarboxamide
CID 113038564
N-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]cyclopropanecarboxamide
CID 113042762
N-[6-(2-methylpropylamino)pyridazin-3-yl]-4-(trifluoromethyl)benzamide
CID 113038491
N-[6-(3-phenylpropylamino)pyridazin-3-yl]cyclopropanecarboxamide
CID 113044080
N-[6-(4-acetamidoanilino)pyridazin-3-yl]cyclopropanecarboxamide
CID 113049270
(3-methylpiperidin-1-yl)-[6-(2-methylpropylamino)pyridazin-3-yl]methanone
CID 109111042
N-[6-(2,6-dimethylanilino)pyridazin-3-yl]cyclopropanecarboxamide
CID 113046489
N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]cyclopropanecarboxamide
CID 113048614

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-methylpropylamino)pyridazin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-(2-methylpropylamino)pyridazin-3-yl]cyclopropanecarboxamide (CID 113038436) is N-[6-(2-methylpropylamino)pyridazin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-(2-methylpropylamino)pyridazin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-(2-methylpropylamino)pyridazin-3-yl]cyclopropanecarboxamide is CC(C)CNc1ccc(NC(=O)C2CC2)nn1.
What is the InChIKey of N-[6-(2-methylpropylamino)pyridazin-3-yl]cyclopropanecarboxamide?
The InChIKey is VJEHBHIHGNBUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-8(2)7-13-10-5-6-11(16-15-10)14-12(17)9-3-4-9/h5-6,8-9H,3-4,7H2,1-2H3,(H,13,15)(H,14,16,17).
What are the key properties of N-[6-(2-methylpropylamino)pyridazin-3-yl]cyclopropanecarboxamide?
N-[6-(2-methylpropylamino)pyridazin-3-yl]cyclopropanecarboxamide has a molecular weight of 234.30 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-methylpropylamino)pyridazin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 113038436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).