5-chloro-8-methoxy-[1,2,4]triazolo[4,3-c]pyrimidin-3-amine

C6H6ClN5O — CID 15544996

IUPAC5-chloro-8-methoxy-[1,2,4]triazolo[4,3-c]pyrimidin-3-amine
SMILESCOc1cnc(Cl)n2c(N)nnc12
InChIInChI=1S/C6H6ClN5O/c1-13-3-2-9-5(7)12-4(3)10-11-6(12)8/h2H,1H3,(H2,8,11)
InChIKeyYQTALSLLOOLVLP-UHFFFAOYSA-N
MW199.60 g/mol
LogP0.37
Rot. Bonds1

About 5-chloro-8-methoxy-[1,2,4]triazolo[4,3-c]pyrimidin-3-amine

5-chloro-8-methoxy-[1,2,4]triazolo[4,3-c]pyrimidin-3-amine (PubChem CID 15544996) has the molecular formula C6H6ClN5O and a molecular weight of 199.60 g/mol. Its IUPAC name is 5-chloro-8-methoxy-[1,2,4]triazolo[4,3-c]pyrimidin-3-amine.

Molecular Properties

Compound Name5-chloro-8-methoxy-[1,2,4]triazolo[4,3-c]pyrimidin-3-amine
PubChem CID15544996
Molecular FormulaC6H6ClN5O
Molecular Weight199.60 g/mol
Exact Mass199.03
IUPAC Name5-chloro-8-methoxy-[1,2,4]triazolo[4,3-c]pyrimidin-3-amine
SMILESCOc1cnc(Cl)n2c(N)nnc12
InChIInChI=1S/C6H6ClN5O/c1-13-3-2-9-5(7)12-4(3)10-11-6(12)8/h2H,1H3,(H2,8,11)
InChIKeyYQTALSLLOOLVLP-UHFFFAOYSA-N
XLogP0.37
TPSA78.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.60
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 357165
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CID 357166
CID 357166
CID 13721409
CID 13721409
CID 138394729
CID 138394729
CID 13721407
CID 13721407
CID 13721410
CID 13721410
CID 16050307
CID 16050307
CID 18366185
CID 18366185
CID 18714170
CID 18714170

Frequently Asked Questions

What is the IUPAC name of 5-chloro-8-methoxy-[1,2,4]triazolo[4,3-c]pyrimidin-3-amine?
The IUPAC name of 5-chloro-8-methoxy-[1,2,4]triazolo[4,3-c]pyrimidin-3-amine (CID 15544996) is 5-chloro-8-methoxy-[1,2,4]triazolo[4,3-c]pyrimidin-3-amine.
What is the SMILES notation for 5-chloro-8-methoxy-[1,2,4]triazolo[4,3-c]pyrimidin-3-amine?
The canonical SMILES for 5-chloro-8-methoxy-[1,2,4]triazolo[4,3-c]pyrimidin-3-amine is COc1cnc(Cl)n2c(N)nnc12.
What is the InChIKey of 5-chloro-8-methoxy-[1,2,4]triazolo[4,3-c]pyrimidin-3-amine?
The InChIKey is YQTALSLLOOLVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClN5O/c1-13-3-2-9-5(7)12-4(3)10-11-6(12)8/h2H,1H3,(H2,8,11).
What are the key properties of 5-chloro-8-methoxy-[1,2,4]triazolo[4,3-c]pyrimidin-3-amine?
5-chloro-8-methoxy-[1,2,4]triazolo[4,3-c]pyrimidin-3-amine has a molecular weight of 199.60 g/mol, XLogP of 0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-8-methoxy-[1,2,4]triazolo[4,3-c]pyrimidin-3-amine is sourced from PubChem (CID 15544996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).