5-chloro-7-(2-methylbutylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine

C10H13ClN4S — CID 107751248

IUPAC5-chloro-7-(2-methylbutylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCC(C)CSc1cc(Cl)nc2ncnn12
InChIInChI=1S/C10H13ClN4S/c1-3-7(2)5-16-9-4-8(11)14-10-12-6-13-15(9)10/h4,6-7H,3,5H2,1-2H3
InChIKeyQJGVNVXCKSGIGD-UHFFFAOYSA-N
MW256.76 g/mol
LogP2.92
Rot. Bonds4

About 5-chloro-7-(2-methylbutylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine

5-chloro-7-(2-methylbutylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 107751248) has the molecular formula C10H13ClN4S and a molecular weight of 256.76 g/mol. Its IUPAC name is 5-chloro-7-(2-methylbutylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-chloro-7-(2-methylbutylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID107751248
Molecular FormulaC10H13ClN4S
Molecular Weight256.76 g/mol
Exact Mass256.05
IUPAC Name5-chloro-7-(2-methylbutylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCC(C)CSc1cc(Cl)nc2ncnn12
InChIInChI=1S/C10H13ClN4S/c1-3-7(2)5-16-9-4-8(11)14-10-12-6-13-15(9)10/h4,6-7H,3,5H2,1-2H3
InChIKeyQJGVNVXCKSGIGD-UHFFFAOYSA-N
XLogP2.92
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.76
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-7-propan-2-ylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102919316
5-chloro-N,N-bis(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918512
5-chloro-N-(2,2-dimethylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918505
ethyl 5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylate
CID 14850356
7-(2-bromophenyl)sulfanyl-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102919271
5-chloro-7-ethylsulfanyl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 103077048
2-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-4-propyl-1H-pyrimidin-6-one
CID 136747745
5-chloro-N-(1-cyclopropylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918871
3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-methylpropane-1,2-diol
CID 102918962
5-chloro-N-(3-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918268
5-chloro-N-(1-cyclopentylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918874
6-butan-2-yl-5,7-dichloro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 59028654

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-(2-methylbutylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-chloro-7-(2-methylbutylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 107751248) is 5-chloro-7-(2-methylbutylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-chloro-7-(2-methylbutylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-chloro-7-(2-methylbutylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine is CCC(C)CSc1cc(Cl)nc2ncnn12.
What is the InChIKey of 5-chloro-7-(2-methylbutylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is QJGVNVXCKSGIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4S/c1-3-7(2)5-16-9-4-8(11)14-10-12-6-13-15(9)10/h4,6-7H,3,5H2,1-2H3.
What are the key properties of 5-chloro-7-(2-methylbutylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
5-chloro-7-(2-methylbutylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 256.76 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-(2-methylbutylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 107751248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).