5-(2-butyl-1,2,4-triazol-3-yl)-2-methylsulfanylpyrimidine

C11H15N5S — CID 72930840

IUPAC5-(2-butyl-1,2,4-triazol-3-yl)-2-methylsulfanylpyrimidine
SMILESCCCCn1ncnc1-c1cnc(SC)nc1
InChIInChI=1S/C11H15N5S/c1-3-4-5-16-10(14-8-15-16)9-6-12-11(17-2)13-7-9/h6-8H,3-5H2,1-2H3
InChIKeyKIOJYAGHOPIRNX-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.26
Rot. Bonds5

About 5-(2-butyl-1,2,4-triazol-3-yl)-2-methylsulfanylpyrimidine

5-(2-butyl-1,2,4-triazol-3-yl)-2-methylsulfanylpyrimidine (PubChem CID 72930840) has the molecular formula C11H15N5S and a molecular weight of 249.34 g/mol. Its IUPAC name is 5-(2-butyl-1,2,4-triazol-3-yl)-2-methylsulfanylpyrimidine.

Molecular Properties

Compound Name5-(2-butyl-1,2,4-triazol-3-yl)-2-methylsulfanylpyrimidine
PubChem CID72930840
Molecular FormulaC11H15N5S
Molecular Weight249.34 g/mol
Exact Mass249.10
IUPAC Name5-(2-butyl-1,2,4-triazol-3-yl)-2-methylsulfanylpyrimidine
SMILESCCCCn1ncnc1-c1cnc(SC)nc1
InChIInChI=1S/C11H15N5S/c1-3-4-5-16-10(14-8-15-16)9-6-12-11(17-2)13-7-9/h6-8H,3-5H2,1-2H3
InChIKeyKIOJYAGHOPIRNX-UHFFFAOYSA-N
XLogP2.26
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-butyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydro-1H-indazole
CID 131943914
1-butyl-5-methylsulfanyltriazole
CID 21395392
3-methyl-5-(2-methylsulfanylpyrimidin-5-yl)-1,2-oxazole
CID 162383929
2-[2-(2-propylsulfanylpyrimidin-5-yl)imidazol-1-yl]ethanol
CID 56759157
N-[(2-butyl-1,2,4-triazol-3-yl)methyl]-1-(2-fluorophenyl)-N-methylmethanamine
CID 72860138
1-[4-[4-(2-butyl-1,2,4-triazol-3-yl)phenyl]piperazin-1-yl]-2-(2,6-dichlorophenyl)ethanone
CID 160658958
1-butyl-5-methylpyrazole-4-sulfonyl chloride
CID 19620104
4-(2-ethyl-1,2,4-triazol-3-yl)phenol
CID 136641819
4-(2-butyl-1,2,4-triazol-3-yl)-2-(4-phenylpiperazin-1-yl)-1,3-thiazole
CID 72935137
N-hydroxy-2-pentyl-1,2,4-triazole-3-carboxamide
CID 155561111
1-butyl-5-(3-phenoxypropyl)-1,2,4-triazole
CID 72937444
(1-butyl-5-fluoropyrazol-4-yl)methanol
CID 171315893

Frequently Asked Questions

What is the IUPAC name of 5-(2-butyl-1,2,4-triazol-3-yl)-2-methylsulfanylpyrimidine?
The IUPAC name of 5-(2-butyl-1,2,4-triazol-3-yl)-2-methylsulfanylpyrimidine (CID 72930840) is 5-(2-butyl-1,2,4-triazol-3-yl)-2-methylsulfanylpyrimidine.
What is the SMILES notation for 5-(2-butyl-1,2,4-triazol-3-yl)-2-methylsulfanylpyrimidine?
The canonical SMILES for 5-(2-butyl-1,2,4-triazol-3-yl)-2-methylsulfanylpyrimidine is CCCCn1ncnc1-c1cnc(SC)nc1.
What is the InChIKey of 5-(2-butyl-1,2,4-triazol-3-yl)-2-methylsulfanylpyrimidine?
The InChIKey is KIOJYAGHOPIRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5S/c1-3-4-5-16-10(14-8-15-16)9-6-12-11(17-2)13-7-9/h6-8H,3-5H2,1-2H3.
What are the key properties of 5-(2-butyl-1,2,4-triazol-3-yl)-2-methylsulfanylpyrimidine?
5-(2-butyl-1,2,4-triazol-3-yl)-2-methylsulfanylpyrimidine has a molecular weight of 249.34 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-butyl-1,2,4-triazol-3-yl)-2-methylsulfanylpyrimidine is sourced from PubChem (CID 72930840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).