[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine

C12H13N5O — CID 66415310

IUPAC[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine
SMILESCc1noc(Cn2cc(CN)c3cccnc32)n1
InChIInChI=1S/C12H13N5O/c1-8-15-11(18-16-8)7-17-6-9(5-13)10-3-2-4-14-12(10)17/h2-4,6H,5,7,13H2,1H3
InChIKeyRNEQGOAZFOYRKS-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.23
Rot. Bonds3

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

[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine (PubChem CID 66415310) has the molecular formula C12H13N5O and a molecular weight of 243.27 g/mol. Its IUPAC name is [1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine
PubChem CID66415310
Molecular FormulaC12H13N5O
Molecular Weight243.27 g/mol
Exact Mass243.11
IUPAC Name[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine
SMILESCc1noc(Cn2cc(CN)c3cccnc32)n1
InChIInChI=1S/C12H13N5O/c1-8-15-11(18-16-8)7-17-6-9(5-13)10-3-2-4-14-12(10)17/h2-4,6H,5,7,13H2,1H3
InChIKeyRNEQGOAZFOYRKS-UHFFFAOYSA-N
XLogP1.23
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine?
The IUPAC name of [1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine (CID 66415310) is [1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine.
What is the SMILES notation for [1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine?
The canonical SMILES for [1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine is Cc1noc(Cn2cc(CN)c3cccnc32)n1.
What is the InChIKey of [1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine?
The InChIKey is RNEQGOAZFOYRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O/c1-8-15-11(18-16-8)7-17-6-9(5-13)10-3-2-4-14-12(10)17/h2-4,6H,5,7,13H2,1H3.
What are the key properties of [1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine?
[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine has a molecular weight of 243.27 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine is sourced from PubChem (CID 66415310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).