N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine

C15H22N6 — CID 56778272

IUPACN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine
SMILESCN(Cc1cnn(C)c1)CC1CCCN1c1cccnn1
InChIInChI=1S/C15H22N6/c1-19(10-13-9-17-20(2)11-13)12-14-5-4-8-21(14)15-6-3-7-16-18-15/h3,6-7,9,11,14H,4-5,8,10,12H2,1-2H3
InChIKeyXNACVPSUCPJAQS-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.31
Rot. Bonds5

About N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine

N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine (PubChem CID 56778272) has the molecular formula C15H22N6 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine.

Molecular Properties

Compound NameN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine
PubChem CID56778272
Molecular FormulaC15H22N6
Molecular Weight286.38 g/mol
Exact Mass286.19
IUPAC NameN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine
SMILESCN(Cc1cnn(C)c1)CC1CCCN1c1cccnn1
InChIInChI=1S/C15H22N6/c1-19(10-13-9-17-20(2)11-13)12-14-5-4-8-21(14)15-6-3-7-16-18-15/h3,6-7,9,11,14H,4-5,8,10,12H2,1-2H3
InChIKeyXNACVPSUCPJAQS-UHFFFAOYSA-N
XLogP1.31
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine?
The IUPAC name of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine (CID 56778272) is N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine.
What is the SMILES notation for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine?
The canonical SMILES for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine is CN(Cc1cnn(C)c1)CC1CCCN1c1cccnn1.
What is the InChIKey of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine?
The InChIKey is XNACVPSUCPJAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6/c1-19(10-13-9-17-20(2)11-13)12-14-5-4-8-21(14)15-6-3-7-16-18-15/h3,6-7,9,11,14H,4-5,8,10,12H2,1-2H3.
What are the key properties of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine?
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine has a molecular weight of 286.38 g/mol, XLogP of 1.31, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine is sourced from PubChem (CID 56778272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).