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

C19H21N5 — CID 3740544

IUPAC5,7-bis(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESCc1ccc(C2CC(c3ccc(C)cc3)n3nc(N)nc3N2)cc1
InChIInChI=1S/C19H21N5/c1-12-3-7-14(8-4-12)16-11-17(15-9-5-13(2)6-10-15)24-19(21-16)22-18(20)23-24/h3-10,16-17H,11H2,1-2H3,(H3,20,21,22,23)
InChIKeyQUCFOWADJYAOPP-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.62
Rot. Bonds2

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

5,7-bis(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (PubChem CID 3740544) has the molecular formula C19H21N5 and a molecular weight of 319.41 g/mol. Its IUPAC name is 5,7-bis(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name5,7-bis(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
PubChem CID3740544
Molecular FormulaC19H21N5
Molecular Weight319.41 g/mol
Exact Mass319.18
IUPAC Name5,7-bis(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESCc1ccc(C2CC(c3ccc(C)cc3)n3nc(N)nc3N2)cc1
InChIInChI=1S/C19H21N5/c1-12-3-7-14(8-4-12)16-11-17(15-9-5-13(2)6-10-15)24-19(21-16)22-18(20)23-24/h3-10,16-17H,11H2,1-2H3,(H3,20,21,22,23)
InChIKeyQUCFOWADJYAOPP-UHFFFAOYSA-N
XLogP3.62
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,7-bis(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 5,7-bis(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (CID 3740544) is 5,7-bis(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 5,7-bis(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 5,7-bis(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is Cc1ccc(C2CC(c3ccc(C)cc3)n3nc(N)nc3N2)cc1.
What is the InChIKey of 5,7-bis(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is QUCFOWADJYAOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5/c1-12-3-7-14(8-4-12)16-11-17(15-9-5-13(2)6-10-15)24-19(21-16)22-18(20)23-24/h3-10,16-17H,11H2,1-2H3,(H3,20,21,22,23).
What are the key properties of 5,7-bis(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
5,7-bis(4-methylphenyl)-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 3.62, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-bis(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 3740544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).