5-ethyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3H-[1,2,4]triazolo[1,5-c]pyrimidin-2-one

C24H24N8O — CID 10252692

IUPAC5-ethyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3H-[1,2,4]triazolo[1,5-c]pyrimidin-2-one
SMILESCCCc1nc(CC)n2[nH]c(=O)nc2c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C24H24N8O/c1-3-7-20-19(23-26-24(33)29-32(23)21(4-2)25-20)14-15-10-12-16(13-11-15)17-8-5-6-9-18(17)22-27-30-31-28-22/h5-6,8-13H,3-4,7,14H2,1-2H3,(H,29,33)(H,27,28,30,31)
InChIKeyQKGVRAAQWDBEOJ-UHFFFAOYSA-N
MW440.51 g/mol
LogP3.37
Rot. Bonds7

About 5-ethyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3H-[1,2,4]triazolo[1,5-c]pyrimidin-2-one

5-ethyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3H-[1,2,4]triazolo[1,5-c]pyrimidin-2-one (PubChem CID 10252692) has the molecular formula C24H24N8O and a molecular weight of 440.51 g/mol. Its IUPAC name is 5-ethyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3H-[1,2,4]triazolo[1,5-c]pyrimidin-2-one.

Molecular Properties

Compound Name5-ethyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3H-[1,2,4]triazolo[1,5-c]pyrimidin-2-one
PubChem CID10252692
Molecular FormulaC24H24N8O
Molecular Weight440.51 g/mol
Exact Mass440.21
IUPAC Name5-ethyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3H-[1,2,4]triazolo[1,5-c]pyrimidin-2-one
SMILESCCCc1nc(CC)n2[nH]c(=O)nc2c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C24H24N8O/c1-3-7-20-19(23-26-24(33)29-32(23)21(4-2)25-20)14-15-10-12-16(13-11-15)17-8-5-6-9-18(17)22-27-30-31-28-22/h5-6,8-13H,3-4,7,14H2,1-2H3,(H,29,33)(H,27,28,30,31)
InChIKeyQKGVRAAQWDBEOJ-UHFFFAOYSA-N
XLogP3.37
TPSA117.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.51
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3H-[1,2,4]triazolo[1,5-c]pyrimidin-2-one?
The IUPAC name of 5-ethyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3H-[1,2,4]triazolo[1,5-c]pyrimidin-2-one (CID 10252692) is 5-ethyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3H-[1,2,4]triazolo[1,5-c]pyrimidin-2-one.
What is the SMILES notation for 5-ethyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3H-[1,2,4]triazolo[1,5-c]pyrimidin-2-one?
The canonical SMILES for 5-ethyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3H-[1,2,4]triazolo[1,5-c]pyrimidin-2-one is CCCc1nc(CC)n2[nH]c(=O)nc2c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.
What is the InChIKey of 5-ethyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3H-[1,2,4]triazolo[1,5-c]pyrimidin-2-one?
The InChIKey is QKGVRAAQWDBEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N8O/c1-3-7-20-19(23-26-24(33)29-32(23)21(4-2)25-20)14-15-10-12-16(13-11-15)17-8-5-6-9-18(17)22-27-30-31-28-22/h5-6,8-13H,3-4,7,14H2,1-2H3,(H,29,33)(H,27,28,30,31).
What are the key properties of 5-ethyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3H-[1,2,4]triazolo[1,5-c]pyrimidin-2-one?
5-ethyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3H-[1,2,4]triazolo[1,5-c]pyrimidin-2-one has a molecular weight of 440.51 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3H-[1,2,4]triazolo[1,5-c]pyrimidin-2-one is sourced from PubChem (CID 10252692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).