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

C24H24N8 — CID 10025379

IUPAC2,5-dimethyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESCCCc1nc(C)n2nc(C)nc2c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C24H24N8/c1-4-7-22-21(24-25-15(2)29-32(24)16(3)26-22)14-17-10-12-18(13-11-17)19-8-5-6-9-20(19)23-27-30-31-28-23/h5-6,8-13H,4,7,14H2,1-3H3,(H,27,28,30,31)
InChIKeyDSRBYBWAYNAFOZ-UHFFFAOYSA-N
MW424.51 g/mol
LogP4.13
Rot. Bonds6

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

2,5-dimethyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidine (PubChem CID 10025379) has the molecular formula C24H24N8 and a molecular weight of 424.51 g/mol. Its IUPAC name is 2,5-dimethyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidine.

Molecular Properties

Compound Name2,5-dimethyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidine
PubChem CID10025379
Molecular FormulaC24H24N8
Molecular Weight424.51 g/mol
Exact Mass424.21
IUPAC Name2,5-dimethyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESCCCc1nc(C)n2nc(C)nc2c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C24H24N8/c1-4-7-22-21(24-25-15(2)29-32(24)16(3)26-22)14-17-10-12-18(13-11-17)19-8-5-6-9-20(19)23-27-30-31-28-23/h5-6,8-13H,4,7,14H2,1-3H3,(H,27,28,30,31)
InChIKeyDSRBYBWAYNAFOZ-UHFFFAOYSA-N
XLogP4.13
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 24905144
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CID 4877
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CID 5154691
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CID 821854
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CID 5059890
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CID 15658026
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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidine?
The IUPAC name of 2,5-dimethyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidine (CID 10025379) is 2,5-dimethyl-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 2,5-dimethyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidine?
The canonical SMILES for 2,5-dimethyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidine is CCCc1nc(C)n2nc(C)nc2c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.
What is the InChIKey of 2,5-dimethyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidine?
The InChIKey is DSRBYBWAYNAFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N8/c1-4-7-22-21(24-25-15(2)29-32(24)16(3)26-22)14-17-10-12-18(13-11-17)19-8-5-6-9-20(19)23-27-30-31-28-23/h5-6,8-13H,4,7,14H2,1-3H3,(H,27,28,30,31).
What are the key properties of 2,5-dimethyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidine?
2,5-dimethyl-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 424.51 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-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 10025379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).