4-(3-methylpyrazin-2-yl)butane-1,2,3-triol

C9H14N2O3 — CID 5319803

IUPAC4-(3-methylpyrazin-2-yl)butane-1,2,3-triol
SMILESCc1nccnc1CC(O)C(O)CO
InChIInChI=1S/C9H14N2O3/c1-6-7(11-3-2-10-6)4-8(13)9(14)5-12/h2-3,8-9,12-14H,4-5H2,1H3
InChIKeyKIUSNPVZHFRLAJ-UHFFFAOYSA-N
MW198.22 g/mol
LogP-0.96
Rot. Bonds4

About 4-(3-methylpyrazin-2-yl)butane-1,2,3-triol

4-(3-methylpyrazin-2-yl)butane-1,2,3-triol (PubChem CID 5319803) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 4-(3-methylpyrazin-2-yl)butane-1,2,3-triol.

Molecular Properties

Compound Name4-(3-methylpyrazin-2-yl)butane-1,2,3-triol
PubChem CID5319803
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name4-(3-methylpyrazin-2-yl)butane-1,2,3-triol
SMILESCc1nccnc1CC(O)C(O)CO
InChIInChI=1S/C9H14N2O3/c1-6-7(11-3-2-10-6)4-8(13)9(14)5-12/h2-3,8-9,12-14H,4-5H2,1H3
InChIKeyKIUSNPVZHFRLAJ-UHFFFAOYSA-N
XLogP-0.96
TPSA86.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 5-0.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylpyrazin-2-yl)butane-1,2,3-triol?
The IUPAC name of 4-(3-methylpyrazin-2-yl)butane-1,2,3-triol (CID 5319803) is 4-(3-methylpyrazin-2-yl)butane-1,2,3-triol.
What is the SMILES notation for 4-(3-methylpyrazin-2-yl)butane-1,2,3-triol?
The canonical SMILES for 4-(3-methylpyrazin-2-yl)butane-1,2,3-triol is Cc1nccnc1CC(O)C(O)CO.
What is the InChIKey of 4-(3-methylpyrazin-2-yl)butane-1,2,3-triol?
The InChIKey is KIUSNPVZHFRLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-6-7(11-3-2-10-6)4-8(13)9(14)5-12/h2-3,8-9,12-14H,4-5H2,1H3.
What are the key properties of 4-(3-methylpyrazin-2-yl)butane-1,2,3-triol?
4-(3-methylpyrazin-2-yl)butane-1,2,3-triol has a molecular weight of 198.22 g/mol, XLogP of -0.96, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylpyrazin-2-yl)butane-1,2,3-triol is sourced from PubChem (CID 5319803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).