2-[(2R)-2-amino-3-methylbutyl]-6-cyclopropylpyridazin-3-one;hydrochloride

C12H20ClN3O — CID 175653011

IUPAC2-[(2R)-2-amino-3-methylbutyl]-6-cyclopropylpyridazin-3-one;hydrochloride
SMILESCC(C)[C@@H](N)Cn1nc(C2CC2)ccc1=O.Cl
InChIInChI=1S/C12H19N3O.ClH/c1-8(2)10(13)7-15-12(16)6-5-11(14-15)9-3-4-9;/h5-6,8-10H,3-4,7,13H2,1-2H3;1H/t10-;/m0./s1
InChIKeyPPRVPFJWUHYSNT-PPHPATTJSA-N
MW257.76 g/mol
LogP1.53
Rot. Bonds4

About 2-[(2R)-2-amino-3-methylbutyl]-6-cyclopropylpyridazin-3-one;hydrochloride

2-[(2R)-2-amino-3-methylbutyl]-6-cyclopropylpyridazin-3-one;hydrochloride (PubChem CID 175653011) has the molecular formula C12H20ClN3O and a molecular weight of 257.76 g/mol. Its IUPAC name is 2-[(2R)-2-amino-3-methylbutyl]-6-cyclopropylpyridazin-3-one;hydrochloride.

Molecular Properties

Compound Name2-[(2R)-2-amino-3-methylbutyl]-6-cyclopropylpyridazin-3-one;hydrochloride
PubChem CID175653011
Molecular FormulaC12H20ClN3O
Molecular Weight257.76 g/mol
Exact Mass257.13
IUPAC Name2-[(2R)-2-amino-3-methylbutyl]-6-cyclopropylpyridazin-3-one;hydrochloride
SMILESCC(C)[C@@H](N)Cn1nc(C2CC2)ccc1=O.Cl
InChIInChI=1S/C12H19N3O.ClH/c1-8(2)10(13)7-15-12(16)6-5-11(14-15)9-3-4-9;/h5-6,8-10H,3-4,7,13H2,1-2H3;1H/t10-;/m0./s1
InChIKeyPPRVPFJWUHYSNT-PPHPATTJSA-N
XLogP1.53
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyclopropylethyl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 45850331
(2S)-2-[[2-(3-cyclopropyl-6-oxopyridazin-1-yl)acetyl]amino]propanamide
CID 129531435
2-(3-cyclopropyl-6-oxopyridazin-1(6H)-yl)-N-(2,2,2-trifluoroethyl)propanamide
CID 122246444
(2R)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(2,2,2-trifluoroethyl)propanamide
CID 129530568
(2S)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(2,2,2-trifluoroethyl)propanamide
CID 129530569
N-[(2S)-1-(3-cyclopropyl-6-oxopyridazin-1-yl)-3-methylbutan-2-yl]cyclopropanecarboxamide
CID 16671501
N-[(2S)-1-(3-cyclopropyl-6-oxopyridazin-1-yl)-3-methylbutan-2-yl]cyclobutanecarboxamide
CID 16671502
N-[(2S)-1-(3-cyclopropyl-6-oxopyridazin-1-yl)-3-methylbutan-2-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 16671504
N-[(2R)-1-(3-cyclopropyl-6-oxopyridazin-1-yl)-3-methylbutan-2-yl]cyclopropanecarboxamide
CID 16671781
N-[(2R)-1-(3-cyclopropyl-6-oxopyridazin-1-yl)-3-methylbutan-2-yl]cyclobutanecarboxamide
CID 16672366
N-[(2R)-1-(3-cyclopropyl-6-oxopyridazin-1-yl)-3-methylbutan-2-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 16672369
2-[(2S)-2-amino-3-methylbutyl]-6-cyclopropylpyridazin-3-one
CID 25802815

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-amino-3-methylbutyl]-6-cyclopropylpyridazin-3-one;hydrochloride?
The IUPAC name of 2-[(2R)-2-amino-3-methylbutyl]-6-cyclopropylpyridazin-3-one;hydrochloride (CID 175653011) is 2-[(2R)-2-amino-3-methylbutyl]-6-cyclopropylpyridazin-3-one;hydrochloride.
What is the SMILES notation for 2-[(2R)-2-amino-3-methylbutyl]-6-cyclopropylpyridazin-3-one;hydrochloride?
The canonical SMILES for 2-[(2R)-2-amino-3-methylbutyl]-6-cyclopropylpyridazin-3-one;hydrochloride is CC(C)[C@@H](N)Cn1nc(C2CC2)ccc1=O.Cl.
What is the InChIKey of 2-[(2R)-2-amino-3-methylbutyl]-6-cyclopropylpyridazin-3-one;hydrochloride?
The InChIKey is PPRVPFJWUHYSNT-PPHPATTJSA-N. The full InChI is InChI=1S/C12H19N3O.ClH/c1-8(2)10(13)7-15-12(16)6-5-11(14-15)9-3-4-9;/h5-6,8-10H,3-4,7,13H2,1-2H3;1H/t10-;/m0./s1.
What are the key properties of 2-[(2R)-2-amino-3-methylbutyl]-6-cyclopropylpyridazin-3-one;hydrochloride?
2-[(2R)-2-amino-3-methylbutyl]-6-cyclopropylpyridazin-3-one;hydrochloride has a molecular weight of 257.76 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-amino-3-methylbutyl]-6-cyclopropylpyridazin-3-one;hydrochloride is sourced from PubChem (CID 175653011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).