(3,7-dimethyl-5H-pyrrolo[2,3-b]pyrazin-2-yl)methanol

C9H11N3O — CID 166990345

IUPAC(3,7-dimethyl-5H-pyrrolo[2,3-b]pyrazin-2-yl)methanol
SMILESCc1nc2[nH]cc(C)c2nc1CO
InChIInChI=1S/C9H11N3O/c1-5-3-10-9-8(5)12-7(4-13)6(2)11-9/h3,13H,4H2,1-2H3,(H,10,11)
InChIKeyNVKDSTXFPHMLCA-UHFFFAOYSA-N
MW177.21 g/mol
LogP1.07
Rot. Bonds1

About (3,7-dimethyl-5H-pyrrolo[2,3-b]pyrazin-2-yl)methanol

(3,7-dimethyl-5H-pyrrolo[2,3-b]pyrazin-2-yl)methanol (PubChem CID 166990345) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is (3,7-dimethyl-5H-pyrrolo[2,3-b]pyrazin-2-yl)methanol.

Molecular Properties

Compound Name(3,7-dimethyl-5H-pyrrolo[2,3-b]pyrazin-2-yl)methanol
PubChem CID166990345
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name(3,7-dimethyl-5H-pyrrolo[2,3-b]pyrazin-2-yl)methanol
SMILESCc1nc2[nH]cc(C)c2nc1CO
InChIInChI=1S/C9H11N3O/c1-5-3-10-9-8(5)12-7(4-13)6(2)11-9/h3,13H,4H2,1-2H3,(H,10,11)
InChIKeyNVKDSTXFPHMLCA-UHFFFAOYSA-N
XLogP1.07
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,7-dimethyl-5H-pyrrolo[2,3-b]pyrazin-2-yl)methanol?
The IUPAC name of (3,7-dimethyl-5H-pyrrolo[2,3-b]pyrazin-2-yl)methanol (CID 166990345) is (3,7-dimethyl-5H-pyrrolo[2,3-b]pyrazin-2-yl)methanol.
What is the SMILES notation for (3,7-dimethyl-5H-pyrrolo[2,3-b]pyrazin-2-yl)methanol?
The canonical SMILES for (3,7-dimethyl-5H-pyrrolo[2,3-b]pyrazin-2-yl)methanol is Cc1nc2[nH]cc(C)c2nc1CO.
What is the InChIKey of (3,7-dimethyl-5H-pyrrolo[2,3-b]pyrazin-2-yl)methanol?
The InChIKey is NVKDSTXFPHMLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-5-3-10-9-8(5)12-7(4-13)6(2)11-9/h3,13H,4H2,1-2H3,(H,10,11).
What are the key properties of (3,7-dimethyl-5H-pyrrolo[2,3-b]pyrazin-2-yl)methanol?
(3,7-dimethyl-5H-pyrrolo[2,3-b]pyrazin-2-yl)methanol has a molecular weight of 177.21 g/mol, XLogP of 1.07, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,7-dimethyl-5H-pyrrolo[2,3-b]pyrazin-2-yl)methanol is sourced from PubChem (CID 166990345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).