5-(4-methoxyphenyl)-7-(3-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

C19H21N5O — CID 3640632

IUPAC5-(4-methoxyphenyl)-7-(3-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESCOc1ccc(C2CC(c3cccc(C)c3)n3nc(N)nc3N2)cc1
InChIInChI=1S/C19H21N5O/c1-12-4-3-5-14(10-12)17-11-16(13-6-8-15(25-2)9-7-13)21-19-22-18(20)23-24(17)19/h3-10,16-17H,11H2,1-2H3,(H3,20,21,22,23)
InChIKeyWMZNEAHJHDAJND-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.32
Rot. Bonds3

About 5-(4-methoxyphenyl)-7-(3-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

5-(4-methoxyphenyl)-7-(3-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (PubChem CID 3640632) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-7-(3-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-7-(3-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
PubChem CID3640632
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name5-(4-methoxyphenyl)-7-(3-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESCOc1ccc(C2CC(c3cccc(C)c3)n3nc(N)nc3N2)cc1
InChIInChI=1S/C19H21N5O/c1-12-4-3-5-14(10-12)17-11-16(13-6-8-15(25-2)9-7-13)21-19-22-18(20)23-24(17)19/h3-10,16-17H,11H2,1-2H3,(H3,20,21,22,23)
InChIKeyWMZNEAHJHDAJND-UHFFFAOYSA-N
XLogP3.32
TPSA77.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-7-(3-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 5-(4-methoxyphenyl)-7-(3-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (CID 3640632) is 5-(4-methoxyphenyl)-7-(3-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 5-(4-methoxyphenyl)-7-(3-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 5-(4-methoxyphenyl)-7-(3-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is COc1ccc(C2CC(c3cccc(C)c3)n3nc(N)nc3N2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-7-(3-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is WMZNEAHJHDAJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-12-4-3-5-14(10-12)17-11-16(13-6-8-15(25-2)9-7-13)21-19-22-18(20)23-24(17)19/h3-10,16-17H,11H2,1-2H3,(H3,20,21,22,23).
What are the key properties of 5-(4-methoxyphenyl)-7-(3-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
5-(4-methoxyphenyl)-7-(3-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 335.41 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-7-(3-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 3640632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).