2-cyclohexyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C13H16N4O — CID 144855513

IUPAC2-cyclohexyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESNC(=O)c1c[nH]c2ncc(C3CCCCC3)nc12
InChIInChI=1S/C13H16N4O/c14-12(18)9-6-15-13-11(9)17-10(7-16-13)8-4-2-1-3-5-8/h6-8H,1-5H2,(H2,14,18)(H,15,16)
InChIKeyLCTZSACHLSWPCS-UHFFFAOYSA-N
MW244.30 g/mol
LogP2.10
Rot. Bonds2

About 2-cyclohexyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

2-cyclohexyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 144855513) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 2-cyclohexyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-cyclohexyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID144855513
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name2-cyclohexyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESNC(=O)c1c[nH]c2ncc(C3CCCCC3)nc12
InChIInChI=1S/C13H16N4O/c14-12(18)9-6-15-13-11(9)17-10(7-16-13)8-4-2-1-3-5-8/h6-8H,1-5H2,(H2,14,18)(H,15,16)
InChIKeyLCTZSACHLSWPCS-UHFFFAOYSA-N
XLogP2.10
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 2-cyclohexyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 144855513) is 2-cyclohexyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 2-cyclohexyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-cyclohexyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is NC(=O)c1c[nH]c2ncc(C3CCCCC3)nc12.
What is the InChIKey of 2-cyclohexyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is LCTZSACHLSWPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c14-12(18)9-6-15-13-11(9)17-10(7-16-13)8-4-2-1-3-5-8/h6-8H,1-5H2,(H2,14,18)(H,15,16).
What are the key properties of 2-cyclohexyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
2-cyclohexyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 244.30 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 144855513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).