7-(4-ethylphenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

C19H21N5 — CID 3437612

IUPAC7-(4-ethylphenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESCCc1ccc(C2CC(c3ccccc3)Nc3nc(N)nn32)cc1
InChIInChI=1S/C19H21N5/c1-2-13-8-10-15(11-9-13)17-12-16(14-6-4-3-5-7-14)21-19-22-18(20)23-24(17)19/h3-11,16-17H,2,12H2,1H3,(H3,20,21,22,23)
InChIKeyLZSJKABBTONJNC-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.57
Rot. Bonds3

About 7-(4-ethylphenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

7-(4-ethylphenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (PubChem CID 3437612) has the molecular formula C19H21N5 and a molecular weight of 319.41 g/mol. Its IUPAC name is 7-(4-ethylphenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name7-(4-ethylphenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
PubChem CID3437612
Molecular FormulaC19H21N5
Molecular Weight319.41 g/mol
Exact Mass319.18
IUPAC Name7-(4-ethylphenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESCCc1ccc(C2CC(c3ccccc3)Nc3nc(N)nn32)cc1
InChIInChI=1S/C19H21N5/c1-2-13-8-10-15(11-9-13)17-12-16(14-6-4-3-5-7-14)21-19-22-18(20)23-24(17)19/h3-11,16-17H,2,12H2,1H3,(H3,20,21,22,23)
InChIKeyLZSJKABBTONJNC-UHFFFAOYSA-N
XLogP3.57
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(4-ethylphenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 7-(4-ethylphenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (CID 3437612) is 7-(4-ethylphenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 7-(4-ethylphenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 7-(4-ethylphenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is CCc1ccc(C2CC(c3ccccc3)Nc3nc(N)nn32)cc1.
What is the InChIKey of 7-(4-ethylphenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is LZSJKABBTONJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5/c1-2-13-8-10-15(11-9-13)17-12-16(14-6-4-3-5-7-14)21-19-22-18(20)23-24(17)19/h3-11,16-17H,2,12H2,1H3,(H3,20,21,22,23).
What are the key properties of 7-(4-ethylphenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
7-(4-ethylphenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 319.41 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-ethylphenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 3437612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).