[5-methyl-1-(5-methylpyridazin-3-yl)pyrrolidin-3-yl]methanamine

C11H18N4 — CID 106550260

IUPAC[5-methyl-1-(5-methylpyridazin-3-yl)pyrrolidin-3-yl]methanamine
SMILESCc1cnnc(N2CC(CN)CC2C)c1
InChIInChI=1S/C11H18N4/c1-8-3-11(14-13-6-8)15-7-10(5-12)4-9(15)2/h3,6,9-10H,4-5,7,12H2,1-2H3
InChIKeyDOJAQCPRDLFUBE-UHFFFAOYSA-N
MW206.29 g/mol
LogP0.96
Rot. Bonds2

About [5-methyl-1-(5-methylpyridazin-3-yl)pyrrolidin-3-yl]methanamine

[5-methyl-1-(5-methylpyridazin-3-yl)pyrrolidin-3-yl]methanamine (PubChem CID 106550260) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is [5-methyl-1-(5-methylpyridazin-3-yl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[5-methyl-1-(5-methylpyridazin-3-yl)pyrrolidin-3-yl]methanamine
PubChem CID106550260
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name[5-methyl-1-(5-methylpyridazin-3-yl)pyrrolidin-3-yl]methanamine
SMILESCc1cnnc(N2CC(CN)CC2C)c1
InChIInChI=1S/C11H18N4/c1-8-3-11(14-13-6-8)15-7-10(5-12)4-9(15)2/h3,6,9-10H,4-5,7,12H2,1-2H3
InChIKeyDOJAQCPRDLFUBE-UHFFFAOYSA-N
XLogP0.96
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-methyl-1-(5-methylpyridazin-3-yl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [5-methyl-1-(5-methylpyridazin-3-yl)pyrrolidin-3-yl]methanamine (CID 106550260) is [5-methyl-1-(5-methylpyridazin-3-yl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [5-methyl-1-(5-methylpyridazin-3-yl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [5-methyl-1-(5-methylpyridazin-3-yl)pyrrolidin-3-yl]methanamine is Cc1cnnc(N2CC(CN)CC2C)c1.
What is the InChIKey of [5-methyl-1-(5-methylpyridazin-3-yl)pyrrolidin-3-yl]methanamine?
The InChIKey is DOJAQCPRDLFUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-8-3-11(14-13-6-8)15-7-10(5-12)4-9(15)2/h3,6,9-10H,4-5,7,12H2,1-2H3.
What are the key properties of [5-methyl-1-(5-methylpyridazin-3-yl)pyrrolidin-3-yl]methanamine?
[5-methyl-1-(5-methylpyridazin-3-yl)pyrrolidin-3-yl]methanamine has a molecular weight of 206.29 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-1-(5-methylpyridazin-3-yl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 106550260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).