N-[1-(5H-pyrrolo[2,3-b]pyrazin-2-yl)azetidin-3-yl]prop-2-enamide

C12H13N5O — CID 118115571

IUPACN-[1-(5H-pyrrolo[2,3-b]pyrazin-2-yl)azetidin-3-yl]prop-2-enamide
SMILESC=CC(=O)NC1CN(c2cnc3[nH]ccc3n2)C1
InChIInChI=1S/C12H13N5O/c1-2-11(18)15-8-6-17(7-8)10-5-14-12-9(16-10)3-4-13-12/h2-5,8H,1,6-7H2,(H,13,14)(H,15,18)
InChIKeyRGDRZJVLPNSFLD-UHFFFAOYSA-N
MW243.27 g/mol
LogP0.45
Rot. Bonds3

About N-[1-(5H-pyrrolo[2,3-b]pyrazin-2-yl)azetidin-3-yl]prop-2-enamide

N-[1-(5H-pyrrolo[2,3-b]pyrazin-2-yl)azetidin-3-yl]prop-2-enamide (PubChem CID 118115571) has the molecular formula C12H13N5O and a molecular weight of 243.27 g/mol. Its IUPAC name is N-[1-(5H-pyrrolo[2,3-b]pyrazin-2-yl)azetidin-3-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[1-(5H-pyrrolo[2,3-b]pyrazin-2-yl)azetidin-3-yl]prop-2-enamide
PubChem CID118115571
Molecular FormulaC12H13N5O
Molecular Weight243.27 g/mol
Exact Mass243.11
IUPAC NameN-[1-(5H-pyrrolo[2,3-b]pyrazin-2-yl)azetidin-3-yl]prop-2-enamide
SMILESC=CC(=O)NC1CN(c2cnc3[nH]ccc3n2)C1
InChIInChI=1S/C12H13N5O/c1-2-11(18)15-8-6-17(7-8)10-5-14-12-9(16-10)3-4-13-12/h2-5,8H,1,6-7H2,(H,13,14)(H,15,18)
InChIKeyRGDRZJVLPNSFLD-UHFFFAOYSA-N
XLogP0.45
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5H-pyrrolo[2,3-b]pyrazin-2-yl)azetidin-3-yl]prop-2-enamide?
The IUPAC name of N-[1-(5H-pyrrolo[2,3-b]pyrazin-2-yl)azetidin-3-yl]prop-2-enamide (CID 118115571) is N-[1-(5H-pyrrolo[2,3-b]pyrazin-2-yl)azetidin-3-yl]prop-2-enamide.
What is the SMILES notation for N-[1-(5H-pyrrolo[2,3-b]pyrazin-2-yl)azetidin-3-yl]prop-2-enamide?
The canonical SMILES for N-[1-(5H-pyrrolo[2,3-b]pyrazin-2-yl)azetidin-3-yl]prop-2-enamide is C=CC(=O)NC1CN(c2cnc3[nH]ccc3n2)C1.
What is the InChIKey of N-[1-(5H-pyrrolo[2,3-b]pyrazin-2-yl)azetidin-3-yl]prop-2-enamide?
The InChIKey is RGDRZJVLPNSFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O/c1-2-11(18)15-8-6-17(7-8)10-5-14-12-9(16-10)3-4-13-12/h2-5,8H,1,6-7H2,(H,13,14)(H,15,18).
What are the key properties of N-[1-(5H-pyrrolo[2,3-b]pyrazin-2-yl)azetidin-3-yl]prop-2-enamide?
N-[1-(5H-pyrrolo[2,3-b]pyrazin-2-yl)azetidin-3-yl]prop-2-enamide has a molecular weight of 243.27 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5H-pyrrolo[2,3-b]pyrazin-2-yl)azetidin-3-yl]prop-2-enamide is sourced from PubChem (CID 118115571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).