6-[(cyclopropylamino)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridazin-3-amine

C16H27N5 — CID 79311011

IUPAC6-[(cyclopropylamino)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridazin-3-amine
SMILESCCN1CCCC1CN(C)c1ccc(CNC2CC2)nn1
InChIInChI=1S/C16H27N5/c1-3-21-10-4-5-15(21)12-20(2)16-9-8-14(18-19-16)11-17-13-6-7-13/h8-9,13,15,17H,3-7,10-12H2,1-2H3
InChIKeyQTDKJRBNKAJJBT-UHFFFAOYSA-N
MW289.43 g/mol
LogP1.65
Rot. Bonds7

About 6-[(cyclopropylamino)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridazin-3-amine

6-[(cyclopropylamino)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridazin-3-amine (PubChem CID 79311011) has the molecular formula C16H27N5 and a molecular weight of 289.43 g/mol. Its IUPAC name is 6-[(cyclopropylamino)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridazin-3-amine.

Molecular Properties

Compound Name6-[(cyclopropylamino)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridazin-3-amine
PubChem CID79311011
Molecular FormulaC16H27N5
Molecular Weight289.43 g/mol
Exact Mass289.23
IUPAC Name6-[(cyclopropylamino)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridazin-3-amine
SMILESCCN1CCCC1CN(C)c1ccc(CNC2CC2)nn1
InChIInChI=1S/C16H27N5/c1-3-21-10-4-5-15(21)12-20(2)16-9-8-14(18-19-16)11-17-13-6-7-13/h8-9,13,15,17H,3-7,10-12H2,1-2H3
InChIKeyQTDKJRBNKAJJBT-UHFFFAOYSA-N
XLogP1.65
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pyridazin-3-yl]methyl]cyclopropanamine
CID 62888182
6-[(cyclopropylamino)methyl]-N-methyl-N-(oxan-2-ylmethyl)pyridazin-3-amine
CID 62281484
[6-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-pyridinyl]methanol
CID 79319929
5-(ethylaminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyrazin-2-amine
CID 107380506
N-methyl-6-[(2-methylpropylamino)methyl]-N-[(1-methylpyrrolidin-2-yl)methyl]pyridazin-3-amine
CID 79310788
6-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N-methylpyridine-2,6-diamine
CID 80651922
6-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyrazin-2-amine
CID 79315343
6-[(cyclopropylamino)methyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridazin-3-amine
CID 63025331
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-6-[(propan-2-ylamino)methyl]pyrazin-2-amine
CID 79311006
5-(2-aminobutyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine
CID 80629731
2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]pyridine-4-carbothioamide
CID 79318536
6-[(cyclopropylamino)methyl]-N-methyl-N-(thiophen-3-ylmethyl)pyridazin-3-amine
CID 62279754

Frequently Asked Questions

What is the IUPAC name of 6-[(cyclopropylamino)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridazin-3-amine?
The IUPAC name of 6-[(cyclopropylamino)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridazin-3-amine (CID 79311011) is 6-[(cyclopropylamino)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridazin-3-amine.
What is the SMILES notation for 6-[(cyclopropylamino)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridazin-3-amine?
The canonical SMILES for 6-[(cyclopropylamino)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridazin-3-amine is CCN1CCCC1CN(C)c1ccc(CNC2CC2)nn1.
What is the InChIKey of 6-[(cyclopropylamino)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridazin-3-amine?
The InChIKey is QTDKJRBNKAJJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5/c1-3-21-10-4-5-15(21)12-20(2)16-9-8-14(18-19-16)11-17-13-6-7-13/h8-9,13,15,17H,3-7,10-12H2,1-2H3.
What are the key properties of 6-[(cyclopropylamino)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridazin-3-amine?
6-[(cyclopropylamino)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridazin-3-amine has a molecular weight of 289.43 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(cyclopropylamino)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridazin-3-amine is sourced from PubChem (CID 79311011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).