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

C24H24N8O2 — CID 10348903

IUPAC5-(methoxymethyl)-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3H-[1,2,4]triazolo[1,5-c]pyrimidin-2-one
SMILESCCCc1nc(COC)n2[nH]c(=O)nc2c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C24H24N8O2/c1-3-6-20-19(23-26-24(33)29-32(23)21(25-20)14-34-2)13-15-9-11-16(12-10-15)17-7-4-5-8-18(17)22-27-30-31-28-22/h4-5,7-12H,3,6,13-14H2,1-2H3,(H,29,33)(H,27,28,30,31)
InChIKeyIGZQCKVRQSZUAU-UHFFFAOYSA-N
MW456.51 g/mol
LogP2.95
Rot. Bonds8

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

5-(methoxymethyl)-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 10348903) has the molecular formula C24H24N8O2 and a molecular weight of 456.51 g/mol. Its IUPAC name is 5-(methoxymethyl)-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-(methoxymethyl)-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3H-[1,2,4]triazolo[1,5-c]pyrimidin-2-one
PubChem CID10348903
Molecular FormulaC24H24N8O2
Molecular Weight456.51 g/mol
Exact Mass456.20
IUPAC Name5-(methoxymethyl)-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3H-[1,2,4]triazolo[1,5-c]pyrimidin-2-one
SMILESCCCc1nc(COC)n2[nH]c(=O)nc2c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C24H24N8O2/c1-3-6-20-19(23-26-24(33)29-32(23)21(25-20)14-34-2)13-15-9-11-16(12-10-15)17-7-4-5-8-18(17)22-27-30-31-28-22/h4-5,7-12H,3,6,13-14H2,1-2H3,(H,29,33)(H,27,28,30,31)
InChIKeyIGZQCKVRQSZUAU-UHFFFAOYSA-N
XLogP2.95
TPSA126.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.51
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

Ripisartan
CID 132840
5-methyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3H-[1,2,4]triazolo[1,5-c]pyrimidine-2-thione
CID 9933044
2-(2-hydroxyethyl)-5-methyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 9982165
7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3H-[1,2,4]triazolo[1,5-c]pyrimidin-2-one
CID 10053872
7-cyclopropyl-5-methyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3H-[1,2,4]triazolo[1,5-c]pyrimidin-2-one
CID 10093827
5,7-dipropyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3H-[1,2,4]triazolo[1,5-c]pyrimidin-2-one
CID 10100370
7-ethyl-5-methyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3H-[1,2,4]triazolo[1,5-c]pyrimidin-2-one
CID 10251107
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
7-butyl-5-methyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3H-[1,2,4]triazolo[1,5-c]pyrimidin-2-one
CID 10348632
ethyl 2-[5-methyl-3-oxo-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl]acetate
CID 10391688
5-methyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 10410197
2,5-dimethyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 10410991

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-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-(methoxymethyl)-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3H-[1,2,4]triazolo[1,5-c]pyrimidin-2-one (CID 10348903) is 5-(methoxymethyl)-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-(methoxymethyl)-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-(methoxymethyl)-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(COC)n2[nH]c(=O)nc2c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.
What is the InChIKey of 5-(methoxymethyl)-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 IGZQCKVRQSZUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N8O2/c1-3-6-20-19(23-26-24(33)29-32(23)21(25-20)14-34-2)13-15-9-11-16(12-10-15)17-7-4-5-8-18(17)22-27-30-31-28-22/h4-5,7-12H,3,6,13-14H2,1-2H3,(H,29,33)(H,27,28,30,31).
What are the key properties of 5-(methoxymethyl)-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3H-[1,2,4]triazolo[1,5-c]pyrimidin-2-one?
5-(methoxymethyl)-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 456.51 g/mol, XLogP of 2.95, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-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 10348903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).