7-chloro-5-cyclopropyl-2-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine

C9H9ClN4O — CID 83095318

IUPAC7-chloro-5-cyclopropyl-2-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1nc2nc(C3CC3)cc(Cl)n2n1
InChIInChI=1S/C9H9ClN4O/c1-15-9-12-8-11-6(5-2-3-5)4-7(10)14(8)13-9/h4-5H,2-3H2,1H3
InChIKeyAIUUCLGJGAATGL-UHFFFAOYSA-N
MW224.65 g/mol
LogP1.66
Rot. Bonds2

About 7-chloro-5-cyclopropyl-2-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine

7-chloro-5-cyclopropyl-2-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 83095318) has the molecular formula C9H9ClN4O and a molecular weight of 224.65 g/mol. Its IUPAC name is 7-chloro-5-cyclopropyl-2-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-5-cyclopropyl-2-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID83095318
Molecular FormulaC9H9ClN4O
Molecular Weight224.65 g/mol
Exact Mass224.05
IUPAC Name7-chloro-5-cyclopropyl-2-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1nc2nc(C3CC3)cc(Cl)n2n1
InChIInChI=1S/C9H9ClN4O/c1-15-9-12-8-11-6(5-2-3-5)4-7(10)14(8)13-9/h4-5H,2-3H2,1H3
InChIKeyAIUUCLGJGAATGL-UHFFFAOYSA-N
XLogP1.66
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.65
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

CID 63358162
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CID 16767691
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CID 16767830
CID 16767830
CID 16768034
CID 16768034
CID 16768222
CID 16768222
CID 16768271
CID 16768271
CID 63820991
CID 63820991
CID 16767710
CID 16767710
CID 83096542
CID 83096542
CID 83096543
CID 83096543
CID 2821831
CID 2821831
CID 123666855
CID 123666855

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-cyclopropyl-2-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-5-cyclopropyl-2-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine (CID 83095318) is 7-chloro-5-cyclopropyl-2-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-5-cyclopropyl-2-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-5-cyclopropyl-2-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine is COc1nc2nc(C3CC3)cc(Cl)n2n1.
What is the InChIKey of 7-chloro-5-cyclopropyl-2-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is AIUUCLGJGAATGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4O/c1-15-9-12-8-11-6(5-2-3-5)4-7(10)14(8)13-9/h4-5H,2-3H2,1H3.
What are the key properties of 7-chloro-5-cyclopropyl-2-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine?
7-chloro-5-cyclopropyl-2-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 224.65 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-cyclopropyl-2-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 83095318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).