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

C18H19N5O — CID 662637

IUPAC7-(4-methoxyphenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESCOc1ccc(C2CC(c3ccccc3)Nc3nc(N)nn32)cc1
InChIInChI=1S/C18H19N5O/c1-24-14-9-7-13(8-10-14)16-11-15(12-5-3-2-4-6-12)20-18-21-17(19)22-23(16)18/h2-10,15-16H,11H2,1H3,(H3,19,20,21,22)
InChIKeyXSTSERBNGBTZHX-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.02
Rot. Bonds3

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

7-(4-methoxyphenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (PubChem CID 662637) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 7-(4-methoxyphenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name7-(4-methoxyphenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
PubChem CID662637
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name7-(4-methoxyphenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESCOc1ccc(C2CC(c3ccccc3)Nc3nc(N)nn32)cc1
InChIInChI=1S/C18H19N5O/c1-24-14-9-7-13(8-10-14)16-11-15(12-5-3-2-4-6-12)20-18-21-17(19)22-23(16)18/h2-10,15-16H,11H2,1H3,(H3,19,20,21,22)
InChIKeyXSTSERBNGBTZHX-UHFFFAOYSA-N
XLogP3.02
TPSA77.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(4-methoxyphenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 7-(4-methoxyphenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (CID 662637) is 7-(4-methoxyphenyl)-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-methoxyphenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 7-(4-methoxyphenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is COc1ccc(C2CC(c3ccccc3)Nc3nc(N)nn32)cc1.
What is the InChIKey of 7-(4-methoxyphenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is XSTSERBNGBTZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-24-14-9-7-13(8-10-14)16-11-15(12-5-3-2-4-6-12)20-18-21-17(19)22-23(16)18/h2-10,15-16H,11H2,1H3,(H3,19,20,21,22).
What are the key properties of 7-(4-methoxyphenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
7-(4-methoxyphenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 321.38 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methoxyphenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 662637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).