[6-(3,3-difluoropyrrolidin-1-yl)-5-methylpyridazin-3-yl]methanamine;hydrochloride

C10H15ClF2N4 — CID 137377938

IUPAC[6-(3,3-difluoropyrrolidin-1-yl)-5-methylpyridazin-3-yl]methanamine;hydrochloride
SMILESCc1cc(CN)nnc1N1CCC(F)(F)C1.Cl
InChIInChI=1S/C10H14F2N4.ClH/c1-7-4-8(5-13)14-15-9(7)16-3-2-10(11,12)6-16;/h4H,2-3,5-6,13H2,1H3;1H
InChIKeyRJKSYNAWMUEOFX-UHFFFAOYSA-N
MW264.71 g/mol
LogP1.51
Rot. Bonds2

About [6-(3,3-difluoropyrrolidin-1-yl)-5-methylpyridazin-3-yl]methanamine;hydrochloride

[6-(3,3-difluoropyrrolidin-1-yl)-5-methylpyridazin-3-yl]methanamine;hydrochloride (PubChem CID 137377938) has the molecular formula C10H15ClF2N4 and a molecular weight of 264.71 g/mol. Its IUPAC name is [6-(3,3-difluoropyrrolidin-1-yl)-5-methylpyridazin-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[6-(3,3-difluoropyrrolidin-1-yl)-5-methylpyridazin-3-yl]methanamine;hydrochloride
PubChem CID137377938
Molecular FormulaC10H15ClF2N4
Molecular Weight264.71 g/mol
Exact Mass264.10
IUPAC Name[6-(3,3-difluoropyrrolidin-1-yl)-5-methylpyridazin-3-yl]methanamine;hydrochloride
SMILESCc1cc(CN)nnc1N1CCC(F)(F)C1.Cl
InChIInChI=1S/C10H14F2N4.ClH/c1-7-4-8(5-13)14-15-9(7)16-3-2-10(11,12)6-16;/h4H,2-3,5-6,13H2,1H3;1H
InChIKeyRJKSYNAWMUEOFX-UHFFFAOYSA-N
XLogP1.51
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(6-phenylpyridazin-3-yl)pyrrolidin-3-amine
CID 46225185
3-Pyrrolidin-1-yl-6-[3-(trifluoromethyl)phenyl]pyridazine
CID 71528503
3-Pyridazinamine, 4-methyl-6-phenyl-N-(2-(1-pyrrolidinyl)ethyl)-, dihydrochloride
CID 3088560
N-[(1-ethylpyrrolidin-2-yl)methyl]-6-phenylpyridazin-3-amine;hydrochloride
CID 45265478
1-{5H,6H,7H,8H-pyrido[4,3-c]pyridazin-3-yl}pyrrolidine dihydrochloride
CID 126770503
3-(Pyrrolidin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazine
CID 91811920
N,N-dimethyl-N'-propan-2-yl-N'-[6-(trifluoromethyl)pyridazin-3-yl]ethane-1,2-diamine
CID 99838529
(2R)-2-N,2-N,3-trimethyl-1-N-(6-propan-2-ylpyridazin-3-yl)butane-1,2-diamine
CID 125440775
(2S)-2-N,2-N-dimethyl-1-N-(6-propan-2-ylpyridazin-3-yl)pentane-1,2-diamine
CID 125447545
2,2-Dimethyl-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]propanenitrile
CID 136522122
6-propan-2-yl-N-[(3S)-1-propylpyrrolidin-3-yl]pyridazin-3-amine
CID 164635724
N,N-dimethyl-1-[(3R)-1-(6-propan-2-ylpyridazin-3-yl)pyrrolidin-3-yl]methanamine
CID 164639228

Frequently Asked Questions

What is the IUPAC name of [6-(3,3-difluoropyrrolidin-1-yl)-5-methylpyridazin-3-yl]methanamine;hydrochloride?
The IUPAC name of [6-(3,3-difluoropyrrolidin-1-yl)-5-methylpyridazin-3-yl]methanamine;hydrochloride (CID 137377938) is [6-(3,3-difluoropyrrolidin-1-yl)-5-methylpyridazin-3-yl]methanamine;hydrochloride.
What is the SMILES notation for [6-(3,3-difluoropyrrolidin-1-yl)-5-methylpyridazin-3-yl]methanamine;hydrochloride?
The canonical SMILES for [6-(3,3-difluoropyrrolidin-1-yl)-5-methylpyridazin-3-yl]methanamine;hydrochloride is Cc1cc(CN)nnc1N1CCC(F)(F)C1.Cl.
What is the InChIKey of [6-(3,3-difluoropyrrolidin-1-yl)-5-methylpyridazin-3-yl]methanamine;hydrochloride?
The InChIKey is RJKSYNAWMUEOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N4.ClH/c1-7-4-8(5-13)14-15-9(7)16-3-2-10(11,12)6-16;/h4H,2-3,5-6,13H2,1H3;1H.
What are the key properties of [6-(3,3-difluoropyrrolidin-1-yl)-5-methylpyridazin-3-yl]methanamine;hydrochloride?
[6-(3,3-difluoropyrrolidin-1-yl)-5-methylpyridazin-3-yl]methanamine;hydrochloride has a molecular weight of 264.71 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3,3-difluoropyrrolidin-1-yl)-5-methylpyridazin-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 137377938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).