5-(7-chloro-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-propylthiadiazole

C11H11ClN6S — CID 65426122

IUPAC5-(7-chloro-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-propylthiadiazole
SMILESCCCc1nnsc1-c1nnc2cc(Cl)nc(C)n12
InChIInChI=1S/C11H11ClN6S/c1-3-4-7-10(19-17-14-7)11-16-15-9-5-8(12)13-6(2)18(9)11/h5H,3-4H2,1-2H3
InChIKeyKVWXNACFFURGPW-UHFFFAOYSA-N
MW294.77 g/mol
LogP2.56
Rot. Bonds3

About 5-(7-chloro-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-propylthiadiazole

5-(7-chloro-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-propylthiadiazole (PubChem CID 65426122) has the molecular formula C11H11ClN6S and a molecular weight of 294.77 g/mol. Its IUPAC name is 5-(7-chloro-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-propylthiadiazole.

Molecular Properties

Compound Name5-(7-chloro-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-propylthiadiazole
PubChem CID65426122
Molecular FormulaC11H11ClN6S
Molecular Weight294.77 g/mol
Exact Mass294.05
IUPAC Name5-(7-chloro-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-propylthiadiazole
SMILESCCCc1nnsc1-c1nnc2cc(Cl)nc(C)n12
InChIInChI=1S/C11H11ClN6S/c1-3-4-7-10(19-17-14-7)11-16-15-9-5-8(12)13-6(2)18(9)11/h5H,3-4H2,1-2H3
InChIKeyKVWXNACFFURGPW-UHFFFAOYSA-N
XLogP2.56
TPSA68.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.77
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-(7-Chloro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-methylthiadiazole
CID 65198839
5-(7-Chloro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-propan-2-ylthiadiazole
CID 65204132
5-(7-Chloro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-propylthiadiazole
CID 65209846
4-Tert-butyl-5-(7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thiadiazole
CID 65209847
5-(6-Chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-4-ethylthiadiazole
CID 65210552
5-(6-Chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-4-propylthiadiazole
CID 65210600
5-(7-Chloro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-ethylthiadiazole
CID 65210602
5-(7-Chloro-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-propan-2-ylthiadiazole
CID 65425933
4-Tert-butyl-5-(7-chloro-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thiadiazole
CID 65426115
5-(7-Chloro-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-methylthiadiazole
CID 65428053
5-(7-Chloro-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-ethylthiadiazole
CID 65428589
5-(8-Chloro-5,6-dimethyl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-4-propylthiadiazole
CID 65576784

Frequently Asked Questions

What is the IUPAC name of 5-(7-chloro-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-propylthiadiazole?
The IUPAC name of 5-(7-chloro-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-propylthiadiazole (CID 65426122) is 5-(7-chloro-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-propylthiadiazole.
What is the SMILES notation for 5-(7-chloro-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-propylthiadiazole?
The canonical SMILES for 5-(7-chloro-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-propylthiadiazole is CCCc1nnsc1-c1nnc2cc(Cl)nc(C)n12.
What is the InChIKey of 5-(7-chloro-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-propylthiadiazole?
The InChIKey is KVWXNACFFURGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN6S/c1-3-4-7-10(19-17-14-7)11-16-15-9-5-8(12)13-6(2)18(9)11/h5H,3-4H2,1-2H3.
What are the key properties of 5-(7-chloro-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-propylthiadiazole?
5-(7-chloro-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-propylthiadiazole has a molecular weight of 294.77 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-chloro-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-propylthiadiazole is sourced from PubChem (CID 65426122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).