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

C12H16N4O — CID 79104347

IUPACcyclopropyl-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]methanamine
SMILESCc1noc(Cn2ccc(C(N)C3CC3)c2)n1
InChIInChI=1S/C12H16N4O/c1-8-14-11(17-15-8)7-16-5-4-10(6-16)12(13)9-2-3-9/h4-6,9,12H,2-3,7,13H2,1H3
InChIKeyBGJGRQYXXJCSHH-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.64
Rot. Bonds4

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

cyclopropyl-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]methanamine (PubChem CID 79104347) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is cyclopropyl-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]methanamine.

Molecular Properties

Compound Namecyclopropyl-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]methanamine
PubChem CID79104347
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Namecyclopropyl-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]methanamine
SMILESCc1noc(Cn2ccc(C(N)C3CC3)c2)n1
InChIInChI=1S/C12H16N4O/c1-8-14-11(17-15-8)7-16-5-4-10(6-16)12(13)9-2-3-9/h4-6,9,12H,2-3,7,13H2,1H3
InChIKeyBGJGRQYXXJCSHH-UHFFFAOYSA-N
XLogP1.64
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]methanamine?
The IUPAC name of cyclopropyl-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]methanamine (CID 79104347) is cyclopropyl-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]methanamine.
What is the SMILES notation for cyclopropyl-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]methanamine?
The canonical SMILES for cyclopropyl-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]methanamine is Cc1noc(Cn2ccc(C(N)C3CC3)c2)n1.
What is the InChIKey of cyclopropyl-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]methanamine?
The InChIKey is BGJGRQYXXJCSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-8-14-11(17-15-8)7-16-5-4-10(6-16)12(13)9-2-3-9/h4-6,9,12H,2-3,7,13H2,1H3.
What are the key properties of cyclopropyl-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]methanamine?
cyclopropyl-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]methanamine has a molecular weight of 232.29 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]methanamine is sourced from PubChem (CID 79104347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).