[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]methanamine

C9H16N4O — CID 62062544

IUPAC[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]methanamine
SMILESCc1nc(CN2CCC(CN)C2)no1
InChIInChI=1S/C9H16N4O/c1-7-11-9(12-14-7)6-13-3-2-8(4-10)5-13/h8H,2-6,10H2,1H3
InChIKeyWVOWHOMLFVIFPC-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.16
Rot. Bonds3

About [1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]methanamine

[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]methanamine (PubChem CID 62062544) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is [1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]methanamine
PubChem CID62062544
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]methanamine
SMILESCc1nc(CN2CCC(CN)C2)no1
InChIInChI=1S/C9H16N4O/c1-7-11-9(12-14-7)6-13-3-2-8(4-10)5-13/h8H,2-6,10H2,1H3
InChIKeyWVOWHOMLFVIFPC-UHFFFAOYSA-N
XLogP0.16
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]methanamine (CID 62062544) is [1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]methanamine is Cc1nc(CN2CCC(CN)C2)no1.
What is the InChIKey of [1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]methanamine?
The InChIKey is WVOWHOMLFVIFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-7-11-9(12-14-7)6-13-3-2-8(4-10)5-13/h8H,2-6,10H2,1H3.
What are the key properties of [1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]methanamine?
[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]methanamine has a molecular weight of 196.25 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 62062544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).