N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine

C14H20N6O — CID 56778197

IUPACN-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine
SMILESCCc1nnc(CNCC2CCCN2c2cccnn2)o1
InChIInChI=1S/C14H20N6O/c1-2-13-18-19-14(21-13)10-15-9-11-5-4-8-20(11)12-6-3-7-16-17-12/h3,6-7,11,15H,2,4-5,8-10H2,1H3
InChIKeyMRXPCCUGGNMHEM-UHFFFAOYSA-N
MW288.36 g/mol
LogP1.18
Rot. Bonds6

About N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine

N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine (PubChem CID 56778197) has the molecular formula C14H20N6O and a molecular weight of 288.36 g/mol. Its IUPAC name is N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine.

Molecular Properties

Compound NameN-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine
PubChem CID56778197
Molecular FormulaC14H20N6O
Molecular Weight288.36 g/mol
Exact Mass288.17
IUPAC NameN-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine
SMILESCCc1nnc(CNCC2CCCN2c2cccnn2)o1
InChIInChI=1S/C14H20N6O/c1-2-13-18-19-14(21-13)10-15-9-11-5-4-8-20(11)12-6-3-7-16-17-12/h3,6-7,11,15H,2,4-5,8-10H2,1H3
InChIKeyMRXPCCUGGNMHEM-UHFFFAOYSA-N
XLogP1.18
TPSA79.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine?
The IUPAC name of N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine (CID 56778197) is N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine.
What is the SMILES notation for N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine?
The canonical SMILES for N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine is CCc1nnc(CNCC2CCCN2c2cccnn2)o1.
What is the InChIKey of N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine?
The InChIKey is MRXPCCUGGNMHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-2-13-18-19-14(21-13)10-15-9-11-5-4-8-20(11)12-6-3-7-16-17-12/h3,6-7,11,15H,2,4-5,8-10H2,1H3.
What are the key properties of N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine?
N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine has a molecular weight of 288.36 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine is sourced from PubChem (CID 56778197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).