N,5-dimethyl-N-[(1S)-1-thiophen-2-ylethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C13H15N5S — CID 94819136

IUPACN,5-dimethyl-N-[(1S)-1-thiophen-2-ylethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(N(C)[C@@H](C)c2cccs2)n2ncnc2n1
InChIInChI=1S/C13H15N5S/c1-9-7-12(18-13(16-9)14-8-15-18)17(3)10(2)11-5-4-6-19-11/h4-8,10H,1-3H3/t10-/m0/s1
InChIKeyOBQOABMMOFZVHW-JTQLQIEISA-N
MW273.37 g/mol
LogP2.69
Rot. Bonds3

About N,5-dimethyl-N-[(1S)-1-thiophen-2-ylethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N,5-dimethyl-N-[(1S)-1-thiophen-2-ylethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 94819136) has the molecular formula C13H15N5S and a molecular weight of 273.37 g/mol. Its IUPAC name is N,5-dimethyl-N-[(1S)-1-thiophen-2-ylethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN,5-dimethyl-N-[(1S)-1-thiophen-2-ylethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID94819136
Molecular FormulaC13H15N5S
Molecular Weight273.37 g/mol
Exact Mass273.10
IUPAC NameN,5-dimethyl-N-[(1S)-1-thiophen-2-ylethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(N(C)[C@@H](C)c2cccs2)n2ncnc2n1
InChIInChI=1S/C13H15N5S/c1-9-7-12(18-13(16-9)14-8-15-18)17(3)10(2)11-5-4-6-19-11/h4-8,10H,1-3H3/t10-/m0/s1
InChIKeyOBQOABMMOFZVHW-JTQLQIEISA-N
XLogP2.69
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol
CID 115765238
5-methyl-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 45353356
ethyl 3-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butanoate
CID 133465187
2-chloro-N,6-dimethyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine
CID 62482403
N-(2-chloroethyl)-5-methyl-N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 63392205
N'-methyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine
CID 62592638
6-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]hexane-1,2,3,4,5-pentol
CID 3512269
N-[(2-fluorophenyl)methyl]-N,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 18191340
4-(chloromethyl)-N,6-dimethyl-N-(1-thiophen-2-ylethyl)pyrimidin-2-amine
CID 114220018
N-[(R)-2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 51927775
5-methyl-N-[(4-propylphenyl)-thiophen-2-ylmethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 45354992
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 107490073

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-N-[(1S)-1-thiophen-2-ylethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N,5-dimethyl-N-[(1S)-1-thiophen-2-ylethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 94819136) is N,5-dimethyl-N-[(1S)-1-thiophen-2-ylethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N,5-dimethyl-N-[(1S)-1-thiophen-2-ylethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N,5-dimethyl-N-[(1S)-1-thiophen-2-ylethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(N(C)[C@@H](C)c2cccs2)n2ncnc2n1.
What is the InChIKey of N,5-dimethyl-N-[(1S)-1-thiophen-2-ylethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is OBQOABMMOFZVHW-JTQLQIEISA-N. The full InChI is InChI=1S/C13H15N5S/c1-9-7-12(18-13(16-9)14-8-15-18)17(3)10(2)11-5-4-6-19-11/h4-8,10H,1-3H3/t10-/m0/s1.
What are the key properties of N,5-dimethyl-N-[(1S)-1-thiophen-2-ylethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N,5-dimethyl-N-[(1S)-1-thiophen-2-ylethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 273.37 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-N-[(1S)-1-thiophen-2-ylethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 94819136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).