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

C9H12N4O — CID 66407745

IUPAC[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-3-yl]methanamine
SMILESCc1nnc(Cn2ccc(CN)c2)o1
InChIInChI=1S/C9H12N4O/c1-7-11-12-9(14-7)6-13-3-2-8(4-10)5-13/h2-3,5H,4,6,10H2,1H3
InChIKeyHVXZDOPOCWGFQI-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.69
Rot. Bonds3

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

[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-3-yl]methanamine (PubChem CID 66407745) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is [1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-3-yl]methanamine.

Molecular Properties

Compound Name[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-3-yl]methanamine
PubChem CID66407745
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-3-yl]methanamine
SMILESCc1nnc(Cn2ccc(CN)c2)o1
InChIInChI=1S/C9H12N4O/c1-7-11-12-9(14-7)6-13-3-2-8(4-10)5-13/h2-3,5H,4,6,10H2,1H3
InChIKeyHVXZDOPOCWGFQI-UHFFFAOYSA-N
XLogP0.69
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-3-yl]methanamine?
The IUPAC name of [1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-3-yl]methanamine (CID 66407745) is [1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-3-yl]methanamine.
What is the SMILES notation for [1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-3-yl]methanamine?
The canonical SMILES for [1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-3-yl]methanamine is Cc1nnc(Cn2ccc(CN)c2)o1.
What is the InChIKey of [1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-3-yl]methanamine?
The InChIKey is HVXZDOPOCWGFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-7-11-12-9(14-7)6-13-3-2-8(4-10)5-13/h2-3,5H,4,6,10H2,1H3.
What are the key properties of [1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-3-yl]methanamine?
[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-3-yl]methanamine has a molecular weight of 192.22 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-3-yl]methanamine is sourced from PubChem (CID 66407745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).