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

C19H17N5S — CID 133272102

IUPACN-[(4-methylsulfanylphenyl)methyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCSc1ccc(CNc2cc(-c3ccccc3)nc3ncnn23)cc1
InChIInChI=1S/C19H17N5S/c1-25-16-9-7-14(8-10-16)12-20-18-11-17(15-5-3-2-4-6-15)23-19-21-13-22-24(18)19/h2-11,13,20H,12H2,1H3
InChIKeyMHGFHCFQHWPREI-UHFFFAOYSA-N
MW347.45 g/mol
LogP4.13
Rot. Bonds5

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

N-[(4-methylsulfanylphenyl)methyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 133272102) has the molecular formula C19H17N5S and a molecular weight of 347.45 g/mol. Its IUPAC name is N-[(4-methylsulfanylphenyl)methyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[(4-methylsulfanylphenyl)methyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID133272102
Molecular FormulaC19H17N5S
Molecular Weight347.45 g/mol
Exact Mass347.12
IUPAC NameN-[(4-methylsulfanylphenyl)methyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCSc1ccc(CNc2cc(-c3ccccc3)nc3ncnn23)cc1
InChIInChI=1S/C19H17N5S/c1-25-16-9-7-14(8-10-16)12-20-18-11-17(15-5-3-2-4-6-15)23-19-21-13-22-24(18)19/h2-11,13,20H,12H2,1H3
InChIKeyMHGFHCFQHWPREI-UHFFFAOYSA-N
XLogP4.13
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.45
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-(difluoromethoxy)phenyl]methyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 46097425
N-[(3,5-dimethoxyphenyl)methyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 46096732
N-(2-methyl-2-methylsulfanylpropyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133327350
N-(1,2-oxazol-5-ylmethyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 154752142
N-[[3-(difluoromethoxy)phenyl]methyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133278063
N-(1-benzofuran-2-ylmethyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 78899177
3-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanenitrile
CID 167860301
2,2-dimethyl-3-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanamide
CID 60507623
N-[2-(5-fluoro-2-methylphenyl)ethyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 178201764
N-[4-(2-methylsulfonylethyl)phenyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133398019
5-methyl-N-[[4-(3-methylphenyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133307758
5-phenyl-N-[(1R,2S)-2-phenylcyclopropyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 7436049

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylsulfanylphenyl)methyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[(4-methylsulfanylphenyl)methyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 133272102) is N-[(4-methylsulfanylphenyl)methyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[(4-methylsulfanylphenyl)methyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[(4-methylsulfanylphenyl)methyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CSc1ccc(CNc2cc(-c3ccccc3)nc3ncnn23)cc1.
What is the InChIKey of N-[(4-methylsulfanylphenyl)methyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is MHGFHCFQHWPREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5S/c1-25-16-9-7-14(8-10-16)12-20-18-11-17(15-5-3-2-4-6-15)23-19-21-13-22-24(18)19/h2-11,13,20H,12H2,1H3.
What are the key properties of N-[(4-methylsulfanylphenyl)methyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-[(4-methylsulfanylphenyl)methyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 347.45 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylsulfanylphenyl)methyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 133272102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).