N-(1H-pyrazol-5-ylmethyl)-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine

C13H18N6 — CID 75533110

IUPACN-(1H-pyrazol-5-ylmethyl)-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine
SMILESc1cnnc(N2CCCC2CNCc2ccn[nH]2)c1
InChIInChI=1S/C13H18N6/c1-4-13(18-15-6-1)19-8-2-3-12(19)10-14-9-11-5-7-16-17-11/h1,4-7,12,14H,2-3,8-10H2,(H,16,17)
InChIKeyMLJUPRFHDALYTG-UHFFFAOYSA-N
MW258.33 g/mol
LogP0.96
Rot. Bonds5

About N-(1H-pyrazol-5-ylmethyl)-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine

N-(1H-pyrazol-5-ylmethyl)-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine (PubChem CID 75533110) has the molecular formula C13H18N6 and a molecular weight of 258.33 g/mol. Its IUPAC name is N-(1H-pyrazol-5-ylmethyl)-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine.

Molecular Properties

Compound NameN-(1H-pyrazol-5-ylmethyl)-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine
PubChem CID75533110
Molecular FormulaC13H18N6
Molecular Weight258.33 g/mol
Exact Mass258.16
IUPAC NameN-(1H-pyrazol-5-ylmethyl)-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine
SMILESc1cnnc(N2CCCC2CNCc2ccn[nH]2)c1
InChIInChI=1S/C13H18N6/c1-4-13(18-15-6-1)19-8-2-3-12(19)10-14-9-11-5-7-16-17-11/h1,4-7,12,14H,2-3,8-10H2,(H,16,17)
InChIKeyMLJUPRFHDALYTG-UHFFFAOYSA-N
XLogP0.96
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-5-ylmethyl)-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine?
The IUPAC name of N-(1H-pyrazol-5-ylmethyl)-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine (CID 75533110) is N-(1H-pyrazol-5-ylmethyl)-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine.
What is the SMILES notation for N-(1H-pyrazol-5-ylmethyl)-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine?
The canonical SMILES for N-(1H-pyrazol-5-ylmethyl)-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine is c1cnnc(N2CCCC2CNCc2ccn[nH]2)c1.
What is the InChIKey of N-(1H-pyrazol-5-ylmethyl)-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine?
The InChIKey is MLJUPRFHDALYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6/c1-4-13(18-15-6-1)19-8-2-3-12(19)10-14-9-11-5-7-16-17-11/h1,4-7,12,14H,2-3,8-10H2,(H,16,17).
What are the key properties of N-(1H-pyrazol-5-ylmethyl)-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine?
N-(1H-pyrazol-5-ylmethyl)-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine has a molecular weight of 258.33 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-5-ylmethyl)-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine is sourced from PubChem (CID 75533110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).