1-(cyclobutylmethyl)pyrrolo[2,3-b]pyridin-5-amine

C12H15N3 — CID 137488548

IUPAC1-(cyclobutylmethyl)pyrrolo[2,3-b]pyridin-5-amine
SMILESNc1cnc2c(ccn2CC2CCC2)c1
InChIInChI=1S/C12H15N3/c13-11-6-10-4-5-15(12(10)14-7-11)8-9-2-1-3-9/h4-7,9H,1-3,8,13H2
InChIKeySAUQEUTVEMTWHU-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.42
Rot. Bonds2

About 1-(cyclobutylmethyl)pyrrolo[2,3-b]pyridin-5-amine

1-(cyclobutylmethyl)pyrrolo[2,3-b]pyridin-5-amine (PubChem CID 137488548) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)pyrrolo[2,3-b]pyridin-5-amine.

Molecular Properties

Compound Name1-(cyclobutylmethyl)pyrrolo[2,3-b]pyridin-5-amine
PubChem CID137488548
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name1-(cyclobutylmethyl)pyrrolo[2,3-b]pyridin-5-amine
SMILESNc1cnc2c(ccn2CC2CCC2)c1
InChIInChI=1S/C12H15N3/c13-11-6-10-4-5-15(12(10)14-7-11)8-9-2-1-3-9/h4-7,9H,1-3,8,13H2
InChIKeySAUQEUTVEMTWHU-UHFFFAOYSA-N
XLogP2.42
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)pyrrolo[2,3-b]pyridin-5-amine?
The IUPAC name of 1-(cyclobutylmethyl)pyrrolo[2,3-b]pyridin-5-amine (CID 137488548) is 1-(cyclobutylmethyl)pyrrolo[2,3-b]pyridin-5-amine.
What is the SMILES notation for 1-(cyclobutylmethyl)pyrrolo[2,3-b]pyridin-5-amine?
The canonical SMILES for 1-(cyclobutylmethyl)pyrrolo[2,3-b]pyridin-5-amine is Nc1cnc2c(ccn2CC2CCC2)c1.
What is the InChIKey of 1-(cyclobutylmethyl)pyrrolo[2,3-b]pyridin-5-amine?
The InChIKey is SAUQEUTVEMTWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c13-11-6-10-4-5-15(12(10)14-7-11)8-9-2-1-3-9/h4-7,9H,1-3,8,13H2.
What are the key properties of 1-(cyclobutylmethyl)pyrrolo[2,3-b]pyridin-5-amine?
1-(cyclobutylmethyl)pyrrolo[2,3-b]pyridin-5-amine has a molecular weight of 201.27 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)pyrrolo[2,3-b]pyridin-5-amine is sourced from PubChem (CID 137488548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).