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

C15H19N5S — CID 71888237

IUPAC5-propyl-N-(1-thiophen-3-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCCc1cc(NC(C)Cc2ccsc2)n2ncnc2n1
InChIInChI=1S/C15H19N5S/c1-3-4-13-8-14(20-15(19-13)16-10-17-20)18-11(2)7-12-5-6-21-9-12/h5-6,8-11,18H,3-4,7H2,1-2H3
InChIKeyDOBMNFNJOYWRNM-UHFFFAOYSA-N
MW301.42 g/mol
LogP3.18
Rot. Bonds6

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

5-propyl-N-(1-thiophen-3-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 71888237) has the molecular formula C15H19N5S and a molecular weight of 301.42 g/mol. Its IUPAC name is 5-propyl-N-(1-thiophen-3-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-propyl-N-(1-thiophen-3-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID71888237
Molecular FormulaC15H19N5S
Molecular Weight301.42 g/mol
Exact Mass301.14
IUPAC Name5-propyl-N-(1-thiophen-3-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCCc1cc(NC(C)Cc2ccsc2)n2ncnc2n1
InChIInChI=1S/C15H19N5S/c1-3-4-13-8-14(20-15(19-13)16-10-17-20)18-11(2)7-12-5-6-21-9-12/h5-6,8-11,18H,3-4,7H2,1-2H3
InChIKeyDOBMNFNJOYWRNM-UHFFFAOYSA-N
XLogP3.18
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-propyl-N-(1-thiophen-3-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-methyl-5-phenyl-N-(1-thiophen-3-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133356751
N-ethyl-5-octyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 141209103
ethyl 3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butanoate
CID 133363441
1-[2-phenyl-2-[(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]pyrrolidin-2-one
CID 166216007
N-(5,5-dimethylhexan-2-yl)-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133311799
N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133349942
ethyl (2R,3S)-3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-methylbutanoate
CID 99798308
5-methyl-2-propyl-4-N-(1-thiophen-3-ylpropan-2-yl)pyrimidine-4,6-diamine
CID 80987707
5-methyl-N-[(4-propylphenyl)-thiophen-2-ylmethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 45354992
5-ethyl-N-[phenyl(1,3-thiazol-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133299717
5-propyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 86772190

Frequently Asked Questions

What is the IUPAC name of 5-propyl-N-(1-thiophen-3-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-propyl-N-(1-thiophen-3-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 71888237) is 5-propyl-N-(1-thiophen-3-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-propyl-N-(1-thiophen-3-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-propyl-N-(1-thiophen-3-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCCc1cc(NC(C)Cc2ccsc2)n2ncnc2n1.
What is the InChIKey of 5-propyl-N-(1-thiophen-3-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is DOBMNFNJOYWRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5S/c1-3-4-13-8-14(20-15(19-13)16-10-17-20)18-11(2)7-12-5-6-21-9-12/h5-6,8-11,18H,3-4,7H2,1-2H3.
What are the key properties of 5-propyl-N-(1-thiophen-3-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-propyl-N-(1-thiophen-3-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 301.42 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-N-(1-thiophen-3-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 71888237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).