1-[(5-aminopyrazin-2-yl)methyl]-3-methylazetidin-3-ol

C9H14N4O — CID 131048434

IUPAC1-[(5-aminopyrazin-2-yl)methyl]-3-methylazetidin-3-ol
SMILESCC1(O)CN(Cc2cnc(N)cn2)C1
InChIInChI=1S/C9H14N4O/c1-9(14)5-13(6-9)4-7-2-12-8(10)3-11-7/h2-3,14H,4-6H2,1H3,(H2,10,12)
InChIKeyIWNHGBCKWNBOPM-UHFFFAOYSA-N
MW194.24 g/mol
LogP-0.37
Rot. Bonds2

About 1-[(5-aminopyrazin-2-yl)methyl]-3-methylazetidin-3-ol

1-[(5-aminopyrazin-2-yl)methyl]-3-methylazetidin-3-ol (PubChem CID 131048434) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 1-[(5-aminopyrazin-2-yl)methyl]-3-methylazetidin-3-ol.

Molecular Properties

Compound Name1-[(5-aminopyrazin-2-yl)methyl]-3-methylazetidin-3-ol
PubChem CID131048434
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name1-[(5-aminopyrazin-2-yl)methyl]-3-methylazetidin-3-ol
SMILESCC1(O)CN(Cc2cnc(N)cn2)C1
InChIInChI=1S/C9H14N4O/c1-9(14)5-13(6-9)4-7-2-12-8(10)3-11-7/h2-3,14H,4-6H2,1H3,(H2,10,12)
InChIKeyIWNHGBCKWNBOPM-UHFFFAOYSA-N
XLogP-0.37
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-aminopyrazin-2-yl)methyl]-3-methylazetidin-3-ol?
The IUPAC name of 1-[(5-aminopyrazin-2-yl)methyl]-3-methylazetidin-3-ol (CID 131048434) is 1-[(5-aminopyrazin-2-yl)methyl]-3-methylazetidin-3-ol.
What is the SMILES notation for 1-[(5-aminopyrazin-2-yl)methyl]-3-methylazetidin-3-ol?
The canonical SMILES for 1-[(5-aminopyrazin-2-yl)methyl]-3-methylazetidin-3-ol is CC1(O)CN(Cc2cnc(N)cn2)C1.
What is the InChIKey of 1-[(5-aminopyrazin-2-yl)methyl]-3-methylazetidin-3-ol?
The InChIKey is IWNHGBCKWNBOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-9(14)5-13(6-9)4-7-2-12-8(10)3-11-7/h2-3,14H,4-6H2,1H3,(H2,10,12).
What are the key properties of 1-[(5-aminopyrazin-2-yl)methyl]-3-methylazetidin-3-ol?
1-[(5-aminopyrazin-2-yl)methyl]-3-methylazetidin-3-ol has a molecular weight of 194.24 g/mol, XLogP of -0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-aminopyrazin-2-yl)methyl]-3-methylazetidin-3-ol is sourced from PubChem (CID 131048434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).