6-butyl-5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine

C12H18N4S — CID 60518333

IUPAC6-butyl-5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCCCc1c(C)nc2nc(SC)nn2c1C
InChIInChI=1S/C12H18N4S/c1-5-6-7-10-8(2)13-11-14-12(17-4)15-16(11)9(10)3/h5-7H2,1-4H3
InChIKeyUIYMFMVQSGIBAM-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.81
Rot. Bonds4

About 6-butyl-5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine

6-butyl-5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 60518333) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is 6-butyl-5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-butyl-5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID60518333
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC Name6-butyl-5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCCCc1c(C)nc2nc(SC)nn2c1C
InChIInChI=1S/C12H18N4S/c1-5-6-7-10-8(2)13-11-14-12(17-4)15-16(11)9(10)3/h5-7H2,1-4H3
InChIKeyUIYMFMVQSGIBAM-UHFFFAOYSA-N
XLogP2.81
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-butyl-5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 1481962
CID 1481962
CID 1234197
CID 1234197
CID 13548803
CID 13548803
CID 13548804
CID 13548804
CID 13548806
CID 13548806
CID 703981
CID 703981
CID 2320566
CID 2320566
CID 13880928
CID 13880928
CID 13880932
CID 13880932
CID 76331114
CID 76331114
CID 129255443
CID 129255443
CID 146424564
CID 146424564

Frequently Asked Questions

What is the IUPAC name of 6-butyl-5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 6-butyl-5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 60518333) is 6-butyl-5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-butyl-5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-butyl-5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine is CCCCc1c(C)nc2nc(SC)nn2c1C.
What is the InChIKey of 6-butyl-5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is UIYMFMVQSGIBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c1-5-6-7-10-8(2)13-11-14-12(17-4)15-16(11)9(10)3/h5-7H2,1-4H3.
What are the key properties of 6-butyl-5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine?
6-butyl-5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 250.37 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 60518333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).