1-cyclohexyl-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea

C13H17N5O — CID 46235625

IUPAC1-cyclohexyl-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea
SMILESO=C(Nc1cnc2[nH]ccc2n1)NC1CCCCC1
InChIInChI=1S/C13H17N5O/c19-13(16-9-4-2-1-3-5-9)18-11-8-15-12-10(17-11)6-7-14-12/h6-9H,1-5H2,(H,14,15)(H2,16,17,18,19)
InChIKeyZWDOCPOQXVFFAP-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.41
Rot. Bonds2

About 1-cyclohexyl-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea

1-cyclohexyl-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea (PubChem CID 46235625) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-cyclohexyl-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea
PubChem CID46235625
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name1-cyclohexyl-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea
SMILESO=C(Nc1cnc2[nH]ccc2n1)NC1CCCCC1
InChIInChI=1S/C13H17N5O/c19-13(16-9-4-2-1-3-5-9)18-11-8-15-12-10(17-11)6-7-14-12/h6-9H,1-5H2,(H,14,15)(H2,16,17,18,19)
InChIKeyZWDOCPOQXVFFAP-UHFFFAOYSA-N
XLogP2.41
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea?
The IUPAC name of 1-cyclohexyl-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea (CID 46235625) is 1-cyclohexyl-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea?
The canonical SMILES for 1-cyclohexyl-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea is O=C(Nc1cnc2[nH]ccc2n1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea?
The InChIKey is ZWDOCPOQXVFFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c19-13(16-9-4-2-1-3-5-9)18-11-8-15-12-10(17-11)6-7-14-12/h6-9H,1-5H2,(H,14,15)(H2,16,17,18,19).
What are the key properties of 1-cyclohexyl-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea?
1-cyclohexyl-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea has a molecular weight of 259.31 g/mol, XLogP of 2.41, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea is sourced from PubChem (CID 46235625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).