5,7-bis(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine

C19H18N4 — CID 3619191

IUPAC5,7-bis(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1ccc(C2=CC(c3ccc(C)cc3)n3ncnc3N2)cc1
InChIInChI=1S/C19H18N4/c1-13-3-7-15(8-4-13)17-11-18(16-9-5-14(2)6-10-16)23-19(22-17)20-12-21-23/h3-12,18H,1-2H3,(H,20,21,22)
InChIKeyMDIULAIQZRCZJX-UHFFFAOYSA-N
MW302.38 g/mol
LogP3.95
Rot. Bonds2

About 5,7-bis(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine

5,7-bis(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 3619191) has the molecular formula C19H18N4 and a molecular weight of 302.38 g/mol. Its IUPAC name is 5,7-bis(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,7-bis(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID3619191
Molecular FormulaC19H18N4
Molecular Weight302.38 g/mol
Exact Mass302.15
IUPAC Name5,7-bis(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1ccc(C2=CC(c3ccc(C)cc3)n3ncnc3N2)cc1
InChIInChI=1S/C19H18N4/c1-13-3-7-15(8-4-13)17-11-18(16-9-5-14(2)6-10-16)23-19(22-17)20-12-21-23/h3-12,18H,1-2H3,(H,20,21,22)
InChIKeyMDIULAIQZRCZJX-UHFFFAOYSA-N
XLogP3.95
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,7-bis(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5,7-bis(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine (CID 3619191) is 5,7-bis(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,7-bis(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,7-bis(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1ccc(C2=CC(c3ccc(C)cc3)n3ncnc3N2)cc1.
What is the InChIKey of 5,7-bis(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is MDIULAIQZRCZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4/c1-13-3-7-15(8-4-13)17-11-18(16-9-5-14(2)6-10-16)23-19(22-17)20-12-21-23/h3-12,18H,1-2H3,(H,20,21,22).
What are the key properties of 5,7-bis(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
5,7-bis(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 302.38 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-bis(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 3619191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).