4-(8-chloro-5,6-dimethyl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)butan-2-ol

C11H15ClN4O — CID 79200361

IUPAC4-(8-chloro-5,6-dimethyl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)butan-2-ol
SMILESCc1nc(Cl)c2nnc(CCC(C)O)n2c1C
InChIInChI=1S/C11H15ClN4O/c1-6(17)4-5-9-14-15-11-10(12)13-7(2)8(3)16(9)11/h6,17H,4-5H2,1-3H3
InChIKeyDTEZBRWIANMILM-UHFFFAOYSA-N
MW254.72 g/mol
LogP1.71
Rot. Bonds3

About 4-(8-chloro-5,6-dimethyl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)butan-2-ol

4-(8-chloro-5,6-dimethyl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)butan-2-ol (PubChem CID 79200361) has the molecular formula C11H15ClN4O and a molecular weight of 254.72 g/mol. Its IUPAC name is 4-(8-chloro-5,6-dimethyl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)butan-2-ol.

Molecular Properties

Compound Name4-(8-chloro-5,6-dimethyl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)butan-2-ol
PubChem CID79200361
Molecular FormulaC11H15ClN4O
Molecular Weight254.72 g/mol
Exact Mass254.09
IUPAC Name4-(8-chloro-5,6-dimethyl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)butan-2-ol
SMILESCc1nc(Cl)c2nnc(CCC(C)O)n2c1C
InChIInChI=1S/C11H15ClN4O/c1-6(17)4-5-9-14-15-11-10(12)13-7(2)8(3)16(9)11/h6,17H,4-5H2,1-3H3
InChIKeyDTEZBRWIANMILM-UHFFFAOYSA-N
XLogP1.71
TPSA63.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(8-chloro-5,6-dimethyl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)butan-2-ol?
The IUPAC name of 4-(8-chloro-5,6-dimethyl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)butan-2-ol (CID 79200361) is 4-(8-chloro-5,6-dimethyl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)butan-2-ol.
What is the SMILES notation for 4-(8-chloro-5,6-dimethyl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)butan-2-ol?
The canonical SMILES for 4-(8-chloro-5,6-dimethyl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)butan-2-ol is Cc1nc(Cl)c2nnc(CCC(C)O)n2c1C.
What is the InChIKey of 4-(8-chloro-5,6-dimethyl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)butan-2-ol?
The InChIKey is DTEZBRWIANMILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O/c1-6(17)4-5-9-14-15-11-10(12)13-7(2)8(3)16(9)11/h6,17H,4-5H2,1-3H3.
What are the key properties of 4-(8-chloro-5,6-dimethyl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)butan-2-ol?
4-(8-chloro-5,6-dimethyl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)butan-2-ol has a molecular weight of 254.72 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-chloro-5,6-dimethyl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)butan-2-ol is sourced from PubChem (CID 79200361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).