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

C23H22N8 — CID 10001600

IUPAC5-methyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESCCCc1nc(C)n2ncnc2c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C23H22N8/c1-3-6-21-20(23-24-14-25-31(23)15(2)26-21)13-16-9-11-17(12-10-16)18-7-4-5-8-19(18)22-27-29-30-28-22/h4-5,7-12,14H,3,6,13H2,1-2H3,(H,27,28,29,30)
InChIKeyFWZKQZUEJPQQDN-UHFFFAOYSA-N
MW410.49 g/mol
LogP3.82
Rot. Bonds6

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

5-methyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidine (PubChem CID 10001600) has the molecular formula C23H22N8 and a molecular weight of 410.49 g/mol. Its IUPAC name is 5-methyl-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-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidine
PubChem CID10001600
Molecular FormulaC23H22N8
Molecular Weight410.49 g/mol
Exact Mass410.20
IUPAC Name5-methyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESCCCc1nc(C)n2ncnc2c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C23H22N8/c1-3-6-21-20(23-24-14-25-31(23)15(2)26-21)13-16-9-11-17(12-10-16)18-7-4-5-8-19(18)22-27-29-30-28-22/h4-5,7-12,14H,3,6,13H2,1-2H3,(H,27,28,29,30)
InChIKeyFWZKQZUEJPQQDN-UHFFFAOYSA-N
XLogP3.82
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-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-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidine (CID 10001600) is 5-methyl-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-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-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidine is CCCc1nc(C)n2ncnc2c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.
What is the InChIKey of 5-methyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidine?
The InChIKey is FWZKQZUEJPQQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N8/c1-3-6-21-20(23-24-14-25-31(23)15(2)26-21)13-16-9-11-17(12-10-16)18-7-4-5-8-19(18)22-27-29-30-28-22/h4-5,7-12,14H,3,6,13H2,1-2H3,(H,27,28,29,30).
What are the key properties of 5-methyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidine?
5-methyl-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 410.49 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-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 10001600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).