(5-chloro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methanol

C6H5ClN4O — CID 81441170

IUPAC(5-chloro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methanol
SMILESOCc1nnc2cncc(Cl)n12
InChIInChI=1S/C6H5ClN4O/c7-4-1-8-2-5-9-10-6(3-12)11(4)5/h1-2,12H,3H2
InChIKeyCPYMDUDDIDMECB-UHFFFAOYSA-N
MW184.59 g/mol
LogP0.27
Rot. Bonds1

About (5-chloro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methanol

(5-chloro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methanol (PubChem CID 81441170) has the molecular formula C6H5ClN4O and a molecular weight of 184.59 g/mol. Its IUPAC name is (5-chloro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methanol.

Molecular Properties

Compound Name(5-chloro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methanol
PubChem CID81441170
Molecular FormulaC6H5ClN4O
Molecular Weight184.59 g/mol
Exact Mass184.02
IUPAC Name(5-chloro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methanol
SMILESOCc1nnc2cncc(Cl)n12
InChIInChI=1S/C6H5ClN4O/c7-4-1-8-2-5-9-10-6(3-12)11(4)5/h1-2,12H,3H2
InChIKeyCPYMDUDDIDMECB-UHFFFAOYSA-N
XLogP0.27
TPSA63.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.59
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methanol?
The IUPAC name of (5-chloro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methanol (CID 81441170) is (5-chloro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methanol.
What is the SMILES notation for (5-chloro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methanol?
The canonical SMILES for (5-chloro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methanol is OCc1nnc2cncc(Cl)n12.
What is the InChIKey of (5-chloro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methanol?
The InChIKey is CPYMDUDDIDMECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN4O/c7-4-1-8-2-5-9-10-6(3-12)11(4)5/h1-2,12H,3H2.
What are the key properties of (5-chloro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methanol?
(5-chloro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methanol has a molecular weight of 184.59 g/mol, XLogP of 0.27, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methanol is sourced from PubChem (CID 81441170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).