5-methyl-2-phenyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidine

C29H26N8 — CID 10005644

IUPAC5-methyl-2-phenyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESCCCc1nc(C)n2nc(-c3ccccc3)nc2c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C29H26N8/c1-3-9-26-25(29-31-27(22-10-5-4-6-11-22)34-37(29)19(2)30-26)18-20-14-16-21(17-15-20)23-12-7-8-13-24(23)28-32-35-36-33-28/h4-8,10-17H,3,9,18H2,1-2H3,(H,32,33,35,36)
InChIKeySIHMVADARGRZID-UHFFFAOYSA-N
MW486.58 g/mol
LogP5.49
Rot. Bonds7

About 5-methyl-2-phenyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidine

5-methyl-2-phenyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidine (PubChem CID 10005644) has the molecular formula C29H26N8 and a molecular weight of 486.58 g/mol. Its IUPAC name is 5-methyl-2-phenyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidine.

Molecular Properties

Compound Name5-methyl-2-phenyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidine
PubChem CID10005644
Molecular FormulaC29H26N8
Molecular Weight486.58 g/mol
Exact Mass486.23
IUPAC Name5-methyl-2-phenyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESCCCc1nc(C)n2nc(-c3ccccc3)nc2c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C29H26N8/c1-3-9-26-25(29-31-27(22-10-5-4-6-11-22)34-37(29)19(2)30-26)18-20-14-16-21(17-15-20)23-12-7-8-13-24(23)28-32-35-36-33-28/h4-8,10-17H,3,9,18H2,1-2H3,(H,32,33,35,36)
InChIKeySIHMVADARGRZID-UHFFFAOYSA-N
XLogP5.49
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.58
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-methyl-2-phenyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-phenyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidine?
The IUPAC name of 5-methyl-2-phenyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidine (CID 10005644) is 5-methyl-2-phenyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidine.
What is the SMILES notation for 5-methyl-2-phenyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidine?
The canonical SMILES for 5-methyl-2-phenyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidine is CCCc1nc(C)n2nc(-c3ccccc3)nc2c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.
What is the InChIKey of 5-methyl-2-phenyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidine?
The InChIKey is SIHMVADARGRZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N8/c1-3-9-26-25(29-31-27(22-10-5-4-6-11-22)34-37(29)19(2)30-26)18-20-14-16-21(17-15-20)23-12-7-8-13-24(23)28-32-35-36-33-28/h4-8,10-17H,3,9,18H2,1-2H3,(H,32,33,35,36).
What are the key properties of 5-methyl-2-phenyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidine?
5-methyl-2-phenyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidine has a molecular weight of 486.58 g/mol, XLogP of 5.49, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-phenyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidine is sourced from PubChem (CID 10005644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).