2-ethyl-5-propyl-6-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C24H24N8O — CID 3074906

IUPAC2-ethyl-5-propyl-6-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCCc1nc2nc(CC)[nH]n2c(=O)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C24H24N8O/c1-3-7-20-19(23(33)32-24(25-20)26-21(4-2)29-32)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,25,26,29)(H,27,28,30,31)
InChIKeyNPHGXKIEIPZVQH-UHFFFAOYSA-N
MW440.51 g/mol
LogP3.37
Rot. Bonds7

About 2-ethyl-5-propyl-6-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

2-ethyl-5-propyl-6-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 3074906) has the molecular formula C24H24N8O and a molecular weight of 440.51 g/mol. Its IUPAC name is 2-ethyl-5-propyl-6-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-ethyl-5-propyl-6-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID3074906
Molecular FormulaC24H24N8O
Molecular Weight440.51 g/mol
Exact Mass440.21
IUPAC Name2-ethyl-5-propyl-6-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCCc1nc2nc(CC)[nH]n2c(=O)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C24H24N8O/c1-3-7-20-19(23(33)32-24(25-20)26-21(4-2)29-32)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,25,26,29)(H,27,28,30,31)
InChIKeyNPHGXKIEIPZVQH-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 2-ethyl-5-propyl-6-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-ethyl-5-propyl-6-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 3074906) is 2-ethyl-5-propyl-6-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-ethyl-5-propyl-6-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-ethyl-5-propyl-6-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CCCc1nc2nc(CC)[nH]n2c(=O)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.
What is the InChIKey of 2-ethyl-5-propyl-6-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is NPHGXKIEIPZVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N8O/c1-3-7-20-19(23(33)32-24(25-20)26-21(4-2)29-32)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,25,26,29)(H,27,28,30,31).
What are the key properties of 2-ethyl-5-propyl-6-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2-ethyl-5-propyl-6-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-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 2-ethyl-5-propyl-6-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 3074906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).