N-methyl-5-phenyl-N-(1-thiophen-3-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C19H19N5S — CID 133356751

IUPACN-methyl-5-phenyl-N-(1-thiophen-3-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCC(Cc1ccsc1)N(C)c1cc(-c2ccccc2)nc2ncnn12
InChIInChI=1S/C19H19N5S/c1-14(10-15-8-9-25-12-15)23(2)18-11-17(16-6-4-3-5-7-16)22-19-20-13-21-24(18)19/h3-9,11-14H,10H2,1-2H3
InChIKeyAAGLWHRKPFHQKP-UHFFFAOYSA-N
MW349.46 g/mol
LogP3.92
Rot. Bonds5

About N-methyl-5-phenyl-N-(1-thiophen-3-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-methyl-5-phenyl-N-(1-thiophen-3-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 133356751) has the molecular formula C19H19N5S and a molecular weight of 349.46 g/mol. Its IUPAC name is N-methyl-5-phenyl-N-(1-thiophen-3-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-methyl-5-phenyl-N-(1-thiophen-3-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID133356751
Molecular FormulaC19H19N5S
Molecular Weight349.46 g/mol
Exact Mass349.14
IUPAC NameN-methyl-5-phenyl-N-(1-thiophen-3-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCC(Cc1ccsc1)N(C)c1cc(-c2ccccc2)nc2ncnn12
InChIInChI=1S/C19H19N5S/c1-14(10-15-8-9-25-12-15)23(2)18-11-17(16-6-4-3-5-7-16)22-19-20-13-21-24(18)19/h3-9,11-14H,10H2,1-2H3
InChIKeyAAGLWHRKPFHQKP-UHFFFAOYSA-N
XLogP3.92
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(methoxymethyl)-N-methyl-N-(1-thiophen-3-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133356711
N,N-bis(2-methoxyethyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 78799849
5-propyl-N-(1-thiophen-3-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 71888237
2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-(pyridin-3-ylmethyl)amino]ethanol
CID 71866571
N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 167821765
N-methyl-3-phenyl-N-(1-thiophen-3-ylpropan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133356765
2-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol
CID 115765238
(2S)-2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butan-1-ol
CID 95900420
N,5-dimethyl-N-[(1S)-1-thiophen-2-ylethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 94819136
2-[methyl(1-thiophen-3-ylpropan-2-yl)amino]pyridine-3-carbonitrile
CID 133356712
N-[(4-methylsulfanylphenyl)methyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133272102
3-[(2S)-2,3-dimethylbutyl]thiophene
CID 130210876

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-phenyl-N-(1-thiophen-3-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-methyl-5-phenyl-N-(1-thiophen-3-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 133356751) is N-methyl-5-phenyl-N-(1-thiophen-3-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-methyl-5-phenyl-N-(1-thiophen-3-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-methyl-5-phenyl-N-(1-thiophen-3-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CC(Cc1ccsc1)N(C)c1cc(-c2ccccc2)nc2ncnn12.
What is the InChIKey of N-methyl-5-phenyl-N-(1-thiophen-3-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is AAGLWHRKPFHQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5S/c1-14(10-15-8-9-25-12-15)23(2)18-11-17(16-6-4-3-5-7-16)22-19-20-13-21-24(18)19/h3-9,11-14H,10H2,1-2H3.
What are the key properties of N-methyl-5-phenyl-N-(1-thiophen-3-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-methyl-5-phenyl-N-(1-thiophen-3-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 349.46 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-phenyl-N-(1-thiophen-3-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 133356751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).