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

C25H28N8OSn — CID 10053871

IUPAC7-propyl-8-[[4-[2-(1-trimethylstannyltetrazol-5-yl)phenyl]phenyl]methyl]-3H-[1,2,4]triazolo[1,5-c]pyrimidin-2-one
SMILESCCCc1ncn2[nH]c(=O)nc2c1Cc1ccc(-c2ccccc2-c2nnnn2[Sn](C)(C)C)cc1
InChIInChI=1S/C22H20N8O.3CH3.Sn/c1-2-5-19-18(21-24-22(31)27-30(21)13-23-19)12-14-8-10-15(11-9-14)16-6-3-4-7-17(16)20-25-28-29-26-20;;;;/h3-4,6-11,13H,2,5,12H2,1H3,(H2,25,26,27,28,29,31);3*1H3;/q;;;;+1/p-1
InChIKeyCPVQPIMDYODCGP-UHFFFAOYSA-M
MW575.27 g/mol
LogP3.96
Rot. Bonds7

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

7-propyl-8-[[4-[2-(1-trimethylstannyltetrazol-5-yl)phenyl]phenyl]methyl]-3H-[1,2,4]triazolo[1,5-c]pyrimidin-2-one (PubChem CID 10053871) has the molecular formula C25H28N8OSn and a molecular weight of 575.27 g/mol. Its IUPAC name is 7-propyl-8-[[4-[2-(1-trimethylstannyltetrazol-5-yl)phenyl]phenyl]methyl]-3H-[1,2,4]triazolo[1,5-c]pyrimidin-2-one.

Molecular Properties

Compound Name7-propyl-8-[[4-[2-(1-trimethylstannyltetrazol-5-yl)phenyl]phenyl]methyl]-3H-[1,2,4]triazolo[1,5-c]pyrimidin-2-one
PubChem CID10053871
Molecular FormulaC25H28N8OSn
Molecular Weight575.27 g/mol
Exact Mass576.14
IUPAC Name7-propyl-8-[[4-[2-(1-trimethylstannyltetrazol-5-yl)phenyl]phenyl]methyl]-3H-[1,2,4]triazolo[1,5-c]pyrimidin-2-one
SMILESCCCc1ncn2[nH]c(=O)nc2c1Cc1ccc(-c2ccccc2-c2nnnn2[Sn](C)(C)C)cc1
InChIInChI=1S/C22H20N8O.3CH3.Sn/c1-2-5-19-18(21-24-22(31)27-30(21)13-23-19)12-14-8-10-15(11-9-14)16-6-3-4-7-17(16)20-25-28-29-26-20;;;;/h3-4,6-11,13H,2,5,12H2,1H3,(H2,25,26,27,28,29,31);3*1H3;/q;;;;+1/p-1
InChIKeyCPVQPIMDYODCGP-UHFFFAOYSA-M
XLogP3.96
TPSA106.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500575.27
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 7-propyl-8-[[4-[2-(1-trimethylstannyltetrazol-5-yl)phenyl]phenyl]methyl]-3H-[1,2,4]triazolo[1,5-c]pyrimidin-2-one with MolForge

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Related Compounds

ethyl 2-[5-methyl-7-propyl-8-[[4-[2-(1-trimethylstannyltetrazol-5-yl)phenyl]phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]acetate
CID 10372177
[3-butyl-1-methyl-4-[[4-[2-(1-trimethylstannyltetrazol-5-yl)phenyl]phenyl]methyl]pyrazol-5-yl]methanol
CID 10483024
5-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3H-[1,2,4]triazolo[1,5-c]pyrimidin-2-one
CID 69183934
2-methyl-4-propyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1H-pyrimidin-6-one
CID 135525308
[5-methyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol
CID 10388529
2-methyl-6-propyl-5,7-bis[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-b][1,2,4]triazole
CID 19002227
3-[2-[4-[(4-amino-2-methyl-6-propylpyrimidin-5-yl)methyl]phenyl]phenyl]-4H-1,2,4-oxadiazol-5-one
CID 143886498
2-[4-[(7-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl)methyl]phenyl]benzonitrile
CID 10383445
3-benzyl-6-butyl-2-methyl-5-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]pyrimidin-4-one
CID 10509161
2-[4-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]benzonitrile;[2-butyl-5-chloro-3-[[4-[2-(1-trimethylstannyltetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol
CID 88626151
2-butyl-5,7-dimethyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-a]pyrimidine
CID 139626462
2-butyl-5-propyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1H-pyrazol-3-one
CID 91934767

Frequently Asked Questions

What is the IUPAC name of 7-propyl-8-[[4-[2-(1-trimethylstannyltetrazol-5-yl)phenyl]phenyl]methyl]-3H-[1,2,4]triazolo[1,5-c]pyrimidin-2-one?
The IUPAC name of 7-propyl-8-[[4-[2-(1-trimethylstannyltetrazol-5-yl)phenyl]phenyl]methyl]-3H-[1,2,4]triazolo[1,5-c]pyrimidin-2-one (CID 10053871) is 7-propyl-8-[[4-[2-(1-trimethylstannyltetrazol-5-yl)phenyl]phenyl]methyl]-3H-[1,2,4]triazolo[1,5-c]pyrimidin-2-one.
What is the SMILES notation for 7-propyl-8-[[4-[2-(1-trimethylstannyltetrazol-5-yl)phenyl]phenyl]methyl]-3H-[1,2,4]triazolo[1,5-c]pyrimidin-2-one?
The canonical SMILES for 7-propyl-8-[[4-[2-(1-trimethylstannyltetrazol-5-yl)phenyl]phenyl]methyl]-3H-[1,2,4]triazolo[1,5-c]pyrimidin-2-one is CCCc1ncn2[nH]c(=O)nc2c1Cc1ccc(-c2ccccc2-c2nnnn2[Sn](C)(C)C)cc1.
What is the InChIKey of 7-propyl-8-[[4-[2-(1-trimethylstannyltetrazol-5-yl)phenyl]phenyl]methyl]-3H-[1,2,4]triazolo[1,5-c]pyrimidin-2-one?
The InChIKey is CPVQPIMDYODCGP-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H20N8O.3CH3.Sn/c1-2-5-19-18(21-24-22(31)27-30(21)13-23-19)12-14-8-10-15(11-9-14)16-6-3-4-7-17(16)20-25-28-29-26-20;;;;/h3-4,6-11,13H,2,5,12H2,1H3,(H2,25,26,27,28,29,31);3*1H3;/q;;;;+1/p-1.
What are the key properties of 7-propyl-8-[[4-[2-(1-trimethylstannyltetrazol-5-yl)phenyl]phenyl]methyl]-3H-[1,2,4]triazolo[1,5-c]pyrimidin-2-one?
7-propyl-8-[[4-[2-(1-trimethylstannyltetrazol-5-yl)phenyl]phenyl]methyl]-3H-[1,2,4]triazolo[1,5-c]pyrimidin-2-one has a molecular weight of 575.27 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propyl-8-[[4-[2-(1-trimethylstannyltetrazol-5-yl)phenyl]phenyl]methyl]-3H-[1,2,4]triazolo[1,5-c]pyrimidin-2-one is sourced from PubChem (CID 10053871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).