7-chloro-3-(3-ethyl-1-methylpyrazol-5-yl)-[1,2,4]triazolo[4,3-c]pyrimidine

C11H11ClN6 — CID 66120938

IUPAC7-chloro-3-(3-ethyl-1-methylpyrazol-5-yl)-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESCCc1cc(-c2nnc3cc(Cl)ncn23)n(C)n1
InChIInChI=1S/C11H11ClN6/c1-3-7-4-8(17(2)16-7)11-15-14-10-5-9(12)13-6-18(10)11/h4-6H,3H2,1-2H3
InChIKeyOYNBXEFTBZCPNZ-UHFFFAOYSA-N
MW262.70 g/mol
LogP1.74
Rot. Bonds2

About 7-chloro-3-(3-ethyl-1-methylpyrazol-5-yl)-[1,2,4]triazolo[4,3-c]pyrimidine

7-chloro-3-(3-ethyl-1-methylpyrazol-5-yl)-[1,2,4]triazolo[4,3-c]pyrimidine (PubChem CID 66120938) has the molecular formula C11H11ClN6 and a molecular weight of 262.70 g/mol. Its IUPAC name is 7-chloro-3-(3-ethyl-1-methylpyrazol-5-yl)-[1,2,4]triazolo[4,3-c]pyrimidine.

Molecular Properties

Compound Name7-chloro-3-(3-ethyl-1-methylpyrazol-5-yl)-[1,2,4]triazolo[4,3-c]pyrimidine
PubChem CID66120938
Molecular FormulaC11H11ClN6
Molecular Weight262.70 g/mol
Exact Mass262.07
IUPAC Name7-chloro-3-(3-ethyl-1-methylpyrazol-5-yl)-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESCCc1cc(-c2nnc3cc(Cl)ncn23)n(C)n1
InChIInChI=1S/C11H11ClN6/c1-3-7-4-8(17(2)16-7)11-15-14-10-5-9(12)13-6-18(10)11/h4-6H,3H2,1-2H3
InChIKeyOYNBXEFTBZCPNZ-UHFFFAOYSA-N
XLogP1.74
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(3-ethyl-1-methylpyrazol-5-yl)-[1,2,4]triazolo[4,3-c]pyrimidine?
The IUPAC name of 7-chloro-3-(3-ethyl-1-methylpyrazol-5-yl)-[1,2,4]triazolo[4,3-c]pyrimidine (CID 66120938) is 7-chloro-3-(3-ethyl-1-methylpyrazol-5-yl)-[1,2,4]triazolo[4,3-c]pyrimidine.
What is the SMILES notation for 7-chloro-3-(3-ethyl-1-methylpyrazol-5-yl)-[1,2,4]triazolo[4,3-c]pyrimidine?
The canonical SMILES for 7-chloro-3-(3-ethyl-1-methylpyrazol-5-yl)-[1,2,4]triazolo[4,3-c]pyrimidine is CCc1cc(-c2nnc3cc(Cl)ncn23)n(C)n1.
What is the InChIKey of 7-chloro-3-(3-ethyl-1-methylpyrazol-5-yl)-[1,2,4]triazolo[4,3-c]pyrimidine?
The InChIKey is OYNBXEFTBZCPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN6/c1-3-7-4-8(17(2)16-7)11-15-14-10-5-9(12)13-6-18(10)11/h4-6H,3H2,1-2H3.
What are the key properties of 7-chloro-3-(3-ethyl-1-methylpyrazol-5-yl)-[1,2,4]triazolo[4,3-c]pyrimidine?
7-chloro-3-(3-ethyl-1-methylpyrazol-5-yl)-[1,2,4]triazolo[4,3-c]pyrimidine has a molecular weight of 262.70 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(3-ethyl-1-methylpyrazol-5-yl)-[1,2,4]triazolo[4,3-c]pyrimidine is sourced from PubChem (CID 66120938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).