N-[(5-ethylthiophen-2-yl)methyl]-N-(1,3-oxazol-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C16H16N6OS — CID 167787694

IUPACN-[(5-ethylthiophen-2-yl)methyl]-N-(1,3-oxazol-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1ccc(CN(Cc2ncco2)c2ccnc3ncnn23)s1
InChIInChI=1S/C16H16N6OS/c1-2-12-3-4-13(24-12)9-21(10-14-17-7-8-23-14)15-5-6-18-16-19-11-20-22(15)16/h3-8,11H,2,9-10H2,1H3
InChIKeyOQBBDMGFIZIKMG-UHFFFAOYSA-N
MW340.41 g/mol
LogP2.94
Rot. Bonds6

About N-[(5-ethylthiophen-2-yl)methyl]-N-(1,3-oxazol-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-[(5-ethylthiophen-2-yl)methyl]-N-(1,3-oxazol-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 167787694) has the molecular formula C16H16N6OS and a molecular weight of 340.41 g/mol. Its IUPAC name is N-[(5-ethylthiophen-2-yl)methyl]-N-(1,3-oxazol-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[(5-ethylthiophen-2-yl)methyl]-N-(1,3-oxazol-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID167787694
Molecular FormulaC16H16N6OS
Molecular Weight340.41 g/mol
Exact Mass340.11
IUPAC NameN-[(5-ethylthiophen-2-yl)methyl]-N-(1,3-oxazol-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1ccc(CN(Cc2ncco2)c2ccnc3ncnn23)s1
InChIInChI=1S/C16H16N6OS/c1-2-12-3-4-13(24-12)9-21(10-14-17-7-8-23-14)15-5-6-18-16-19-11-20-22(15)16/h3-8,11H,2,9-10H2,1H3
InChIKeyOQBBDMGFIZIKMG-UHFFFAOYSA-N
XLogP2.94
TPSA72.35 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[pentyl([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethanol
CID 175802455
7-(1-bromopropyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 57116245
2,5-diethylthiophene
CID 521294
4-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-propylamino]methyl]benzonitrile
CID 133384013
4-[(5-ethylthiophen-2-yl)methoxy]-1-methylpyrazole
CID 116793938
N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine
CID 70020006
N-benzyl-N-(2,2-dimethylpropyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133287633
11-(4-ethoxyphenyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 25251817
4-[(5-ethylthiophen-2-yl)methyl-methylamino]oxolane-3-carboxylic acid
CID 66237650
(7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-phenyldiazene
CID 11265235
7-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 1485500
N'-[(5-ethylthiophen-2-yl)methyl]-N'-methylethane-1,2-diamine
CID 43373764

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-N-(1,3-oxazol-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-N-(1,3-oxazol-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 167787694) is N-[(5-ethylthiophen-2-yl)methyl]-N-(1,3-oxazol-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[(5-ethylthiophen-2-yl)methyl]-N-(1,3-oxazol-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[(5-ethylthiophen-2-yl)methyl]-N-(1,3-oxazol-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCc1ccc(CN(Cc2ncco2)c2ccnc3ncnn23)s1.
What is the InChIKey of N-[(5-ethylthiophen-2-yl)methyl]-N-(1,3-oxazol-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is OQBBDMGFIZIKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6OS/c1-2-12-3-4-13(24-12)9-21(10-14-17-7-8-23-14)15-5-6-18-16-19-11-20-22(15)16/h3-8,11H,2,9-10H2,1H3.
What are the key properties of N-[(5-ethylthiophen-2-yl)methyl]-N-(1,3-oxazol-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-[(5-ethylthiophen-2-yl)methyl]-N-(1,3-oxazol-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 340.41 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylthiophen-2-yl)methyl]-N-(1,3-oxazol-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 167787694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).