5-methyl-N-(2-methylsulfinylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C10H15N5OS — CID 113336552

IUPAC5-methyl-N-(2-methylsulfinylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCC(C)S(C)=O)n2ncnc2n1
InChIInChI=1S/C10H15N5OS/c1-7-4-9(11-5-8(2)17(3)16)15-10(14-7)12-6-13-15/h4,6,8,11H,5H2,1-3H3
InChIKeyACSBRJFTZMBYMD-UHFFFAOYSA-N
MW253.33 g/mol
LogP0.61
Rot. Bonds4

About 5-methyl-N-(2-methylsulfinylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5-methyl-N-(2-methylsulfinylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 113336552) has the molecular formula C10H15N5OS and a molecular weight of 253.33 g/mol. Its IUPAC name is 5-methyl-N-(2-methylsulfinylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-methyl-N-(2-methylsulfinylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID113336552
Molecular FormulaC10H15N5OS
Molecular Weight253.33 g/mol
Exact Mass253.10
IUPAC Name5-methyl-N-(2-methylsulfinylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCC(C)S(C)=O)n2ncnc2n1
InChIInChI=1S/C10H15N5OS/c1-7-4-9(11-5-8(2)17(3)16)15-10(14-7)12-6-13-15/h4,6,8,11H,5H2,1-3H3
InChIKeyACSBRJFTZMBYMD-UHFFFAOYSA-N
XLogP0.61
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pentanoic acid
CID 82683204
N-(2,2-diphenylethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 3228693
5-methyl-N-(2-phenylsulfanylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133324638
5-methyl-N-(5-methylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 79003007
N-[2-(2-chloroethyl)pentyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 106117285
N,N-dimethyl-1-(4-methylphenyl)-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine
CID 138988417
N-(3,3-dimethylbutan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 115685845
1-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pentan-3-ol
CID 115702113
5-methyl-N-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 63226890
N-(5-chloropentyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 107320766
2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanoic acid
CID 43517144
ethyl 2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]acetate
CID 60810672

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-methylsulfinylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-methyl-N-(2-methylsulfinylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 113336552) is 5-methyl-N-(2-methylsulfinylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-methyl-N-(2-methylsulfinylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-methyl-N-(2-methylsulfinylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NCC(C)S(C)=O)n2ncnc2n1.
What is the InChIKey of 5-methyl-N-(2-methylsulfinylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is ACSBRJFTZMBYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5OS/c1-7-4-9(11-5-8(2)17(3)16)15-10(14-7)12-6-13-15/h4,6,8,11H,5H2,1-3H3.
What are the key properties of 5-methyl-N-(2-methylsulfinylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-methyl-N-(2-methylsulfinylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 253.33 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-methylsulfinylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 113336552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).