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

C15H17N5S — CID 133324638

IUPAC5-methyl-N-(2-phenylsulfanylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCC(C)Sc2ccccc2)n2ncnc2n1
InChIInChI=1S/C15H17N5S/c1-11-8-14(20-15(19-11)17-10-18-20)16-9-12(2)21-13-6-4-3-5-7-13/h3-8,10,12,16H,9H2,1-2H3
InChIKeyRPPPDWIDKABNOH-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.03
Rot. Bonds5

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

5-methyl-N-(2-phenylsulfanylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 133324638) has the molecular formula C15H17N5S and a molecular weight of 299.40 g/mol. Its IUPAC name is 5-methyl-N-(2-phenylsulfanylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-methyl-N-(2-phenylsulfanylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID133324638
Molecular FormulaC15H17N5S
Molecular Weight299.40 g/mol
Exact Mass299.12
IUPAC Name5-methyl-N-(2-phenylsulfanylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCC(C)Sc2ccccc2)n2ncnc2n1
InChIInChI=1S/C15H17N5S/c1-11-8-14(20-15(19-11)17-10-18-20)16-9-12(2)21-13-6-4-3-5-7-13/h3-8,10,12,16H,9H2,1-2H3
InChIKeyRPPPDWIDKABNOH-UHFFFAOYSA-N
XLogP3.03
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,2-diphenylethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 3228693
5-methyl-N-(2-methylsulfinylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 113336552
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
4-methyl-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pentanoic acid
CID 82683204
N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1-phenylpropane-1,3-diamine
CID 80505333
2-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenol
CID 115598697
N-benzhydryl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 32678340
N-[(2S)-1,1-diphenylpropan-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 99801280
N-[(2-bromophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 61401875
5-methyl-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 39771868
5-methyl-N-(5-methylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 79003007
5-methyl-N-[2-(3-methylphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 43816834

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-phenylsulfanylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-methyl-N-(2-phenylsulfanylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 133324638) is 5-methyl-N-(2-phenylsulfanylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-methyl-N-(2-phenylsulfanylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-methyl-N-(2-phenylsulfanylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NCC(C)Sc2ccccc2)n2ncnc2n1.
What is the InChIKey of 5-methyl-N-(2-phenylsulfanylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is RPPPDWIDKABNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5S/c1-11-8-14(20-15(19-11)17-10-18-20)16-9-12(2)21-13-6-4-3-5-7-13/h3-8,10,12,16H,9H2,1-2H3.
What are the key properties of 5-methyl-N-(2-phenylsulfanylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-methyl-N-(2-phenylsulfanylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 299.40 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-phenylsulfanylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 133324638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).