[2,2-dimethyl-1-(5H-pyrrolo[2,3-b]pyrazin-2-yl)propyl]carbamic acid

C12H16N4O2 — CID 67216817

IUPAC[2,2-dimethyl-1-(5H-pyrrolo[2,3-b]pyrazin-2-yl)propyl]carbamic acid
SMILESCC(C)(C)C(NC(=O)O)c1cnc2[nH]ccc2n1
InChIInChI=1S/C12H16N4O2/c1-12(2,3)9(16-11(17)18)8-6-14-10-7(15-8)4-5-13-10/h4-6,9,16H,1-3H3,(H,13,14)(H,17,18)
InChIKeyRADFMIPSLWVSBF-UHFFFAOYSA-N
MW248.29 g/mol
LogP2.31
Rot. Bonds2

About [2,2-dimethyl-1-(5H-pyrrolo[2,3-b]pyrazin-2-yl)propyl]carbamic acid

[2,2-dimethyl-1-(5H-pyrrolo[2,3-b]pyrazin-2-yl)propyl]carbamic acid (PubChem CID 67216817) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is [2,2-dimethyl-1-(5H-pyrrolo[2,3-b]pyrazin-2-yl)propyl]carbamic acid.

Molecular Properties

Compound Name[2,2-dimethyl-1-(5H-pyrrolo[2,3-b]pyrazin-2-yl)propyl]carbamic acid
PubChem CID67216817
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name[2,2-dimethyl-1-(5H-pyrrolo[2,3-b]pyrazin-2-yl)propyl]carbamic acid
SMILESCC(C)(C)C(NC(=O)O)c1cnc2[nH]ccc2n1
InChIInChI=1S/C12H16N4O2/c1-12(2,3)9(16-11(17)18)8-6-14-10-7(15-8)4-5-13-10/h4-6,9,16H,1-3H3,(H,13,14)(H,17,18)
InChIKeyRADFMIPSLWVSBF-UHFFFAOYSA-N
XLogP2.31
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2,2-dimethyl-1-(5H-pyrrolo[2,3-b]pyrazin-2-yl)propyl]carbamic acid?
The IUPAC name of [2,2-dimethyl-1-(5H-pyrrolo[2,3-b]pyrazin-2-yl)propyl]carbamic acid (CID 67216817) is [2,2-dimethyl-1-(5H-pyrrolo[2,3-b]pyrazin-2-yl)propyl]carbamic acid.
What is the SMILES notation for [2,2-dimethyl-1-(5H-pyrrolo[2,3-b]pyrazin-2-yl)propyl]carbamic acid?
The canonical SMILES for [2,2-dimethyl-1-(5H-pyrrolo[2,3-b]pyrazin-2-yl)propyl]carbamic acid is CC(C)(C)C(NC(=O)O)c1cnc2[nH]ccc2n1.
What is the InChIKey of [2,2-dimethyl-1-(5H-pyrrolo[2,3-b]pyrazin-2-yl)propyl]carbamic acid?
The InChIKey is RADFMIPSLWVSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-12(2,3)9(16-11(17)18)8-6-14-10-7(15-8)4-5-13-10/h4-6,9,16H,1-3H3,(H,13,14)(H,17,18).
What are the key properties of [2,2-dimethyl-1-(5H-pyrrolo[2,3-b]pyrazin-2-yl)propyl]carbamic acid?
[2,2-dimethyl-1-(5H-pyrrolo[2,3-b]pyrazin-2-yl)propyl]carbamic acid has a molecular weight of 248.29 g/mol, XLogP of 2.31, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-dimethyl-1-(5H-pyrrolo[2,3-b]pyrazin-2-yl)propyl]carbamic acid is sourced from PubChem (CID 67216817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).