5-(3,4-dimethylphenyl)-7-(3-methylphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine

C19H21N5 — CID 135732806

IUPAC5-(3,4-dimethylphenyl)-7-(3-methylphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
SMILESCc1cccc(C2CC(c3ccc(C)c(C)c3)Nc3nnnn32)c1
InChIInChI=1S/C19H21N5/c1-12-5-4-6-16(9-12)18-11-17(20-19-21-22-23-24(18)19)15-8-7-13(2)14(3)10-15/h4-10,17-18H,11H2,1-3H3,(H,20,21,23)
InChIKeyXAIDIKXUXQCUSE-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.74
Rot. Bonds2

About 5-(3,4-dimethylphenyl)-7-(3-methylphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine

5-(3,4-dimethylphenyl)-7-(3-methylphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine (PubChem CID 135732806) has the molecular formula C19H21N5 and a molecular weight of 319.41 g/mol. Its IUPAC name is 5-(3,4-dimethylphenyl)-7-(3-methylphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(3,4-dimethylphenyl)-7-(3-methylphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
PubChem CID135732806
Molecular FormulaC19H21N5
Molecular Weight319.41 g/mol
Exact Mass319.18
IUPAC Name5-(3,4-dimethylphenyl)-7-(3-methylphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
SMILESCc1cccc(C2CC(c3ccc(C)c(C)c3)Nc3nnnn32)c1
InChIInChI=1S/C19H21N5/c1-12-5-4-6-16(9-12)18-11-17(20-19-21-22-23-24(18)19)15-8-7-13(2)14(3)10-15/h4-10,17-18H,11H2,1-3H3,(H,20,21,23)
InChIKeyXAIDIKXUXQCUSE-UHFFFAOYSA-N
XLogP3.74
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylphenyl)-7-(3-methylphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(3,4-dimethylphenyl)-7-(3-methylphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine (CID 135732806) is 5-(3,4-dimethylphenyl)-7-(3-methylphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(3,4-dimethylphenyl)-7-(3-methylphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(3,4-dimethylphenyl)-7-(3-methylphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine is Cc1cccc(C2CC(c3ccc(C)c(C)c3)Nc3nnnn32)c1.
What is the InChIKey of 5-(3,4-dimethylphenyl)-7-(3-methylphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine?
The InChIKey is XAIDIKXUXQCUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5/c1-12-5-4-6-16(9-12)18-11-17(20-19-21-22-23-24(18)19)15-8-7-13(2)14(3)10-15/h4-10,17-18H,11H2,1-3H3,(H,20,21,23).
What are the key properties of 5-(3,4-dimethylphenyl)-7-(3-methylphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine?
5-(3,4-dimethylphenyl)-7-(3-methylphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine has a molecular weight of 319.41 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylphenyl)-7-(3-methylphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 135732806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).