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

C19H21N5O — CID 3729704

IUPAC5-(3-methoxyphenyl)-7-(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESCOc1cccc(C2CC(c3ccc(C)cc3)n3nc(N)nc3N2)c1
InChIInChI=1S/C19H21N5O/c1-12-6-8-13(9-7-12)17-11-16(14-4-3-5-15(10-14)25-2)21-19-22-18(20)23-24(17)19/h3-10,16-17H,11H2,1-2H3,(H3,20,21,22,23)
InChIKeyUSCVRRBVYMUMHJ-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.32
Rot. Bonds3

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

5-(3-methoxyphenyl)-7-(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (PubChem CID 3729704) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-7-(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-7-(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
PubChem CID3729704
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name5-(3-methoxyphenyl)-7-(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESCOc1cccc(C2CC(c3ccc(C)cc3)n3nc(N)nc3N2)c1
InChIInChI=1S/C19H21N5O/c1-12-6-8-13(9-7-12)17-11-16(14-4-3-5-15(10-14)25-2)21-19-22-18(20)23-24(17)19/h3-10,16-17H,11H2,1-2H3,(H3,20,21,22,23)
InChIKeyUSCVRRBVYMUMHJ-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-(3-methoxyphenyl)-7-(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 5-(3-methoxyphenyl)-7-(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (CID 3729704) is 5-(3-methoxyphenyl)-7-(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 5-(3-methoxyphenyl)-7-(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 5-(3-methoxyphenyl)-7-(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is COc1cccc(C2CC(c3ccc(C)cc3)n3nc(N)nc3N2)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-7-(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is USCVRRBVYMUMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-12-6-8-13(9-7-12)17-11-16(14-4-3-5-15(10-14)25-2)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-(3-methoxyphenyl)-7-(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
5-(3-methoxyphenyl)-7-(4-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-(3-methoxyphenyl)-7-(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 3729704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).