N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine

C16H24N6 — CID 56778280

IUPACN-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine
SMILESCCn1ccnc1CN(C)CC1CCCN1c1cccnn1
InChIInChI=1S/C16H24N6/c1-3-21-11-9-17-16(21)13-20(2)12-14-6-5-10-22(14)15-7-4-8-18-19-15/h4,7-9,11,14H,3,5-6,10,12-13H2,1-2H3
InChIKeyFBXDXSVTEACFTK-UHFFFAOYSA-N
MW300.41 g/mol
LogP1.79
Rot. Bonds6

About N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine

N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine (PubChem CID 56778280) has the molecular formula C16H24N6 and a molecular weight of 300.41 g/mol. Its IUPAC name is N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine.

Molecular Properties

Compound NameN-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine
PubChem CID56778280
Molecular FormulaC16H24N6
Molecular Weight300.41 g/mol
Exact Mass300.21
IUPAC NameN-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine
SMILESCCn1ccnc1CN(C)CC1CCCN1c1cccnn1
InChIInChI=1S/C16H24N6/c1-3-21-11-9-17-16(21)13-20(2)12-14-6-5-10-22(14)15-7-4-8-18-19-15/h4,7-9,11,14H,3,5-6,10,12-13H2,1-2H3
InChIKeyFBXDXSVTEACFTK-UHFFFAOYSA-N
XLogP1.79
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine?
The IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine (CID 56778280) is N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine.
What is the SMILES notation for N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine?
The canonical SMILES for N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine is CCn1ccnc1CN(C)CC1CCCN1c1cccnn1.
What is the InChIKey of N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine?
The InChIKey is FBXDXSVTEACFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6/c1-3-21-11-9-17-16(21)13-20(2)12-14-6-5-10-22(14)15-7-4-8-18-19-15/h4,7-9,11,14H,3,5-6,10,12-13H2,1-2H3.
What are the key properties of N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine?
N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine has a molecular weight of 300.41 g/mol, XLogP of 1.79, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine is sourced from PubChem (CID 56778280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).