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

C23H20N8O — CID 10093827

IUPAC7-cyclopropyl-5-methyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3H-[1,2,4]triazolo[1,5-c]pyrimidin-2-one
SMILESCc1nc(C2CC2)c(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c2nc(=O)[nH]n12
InChIInChI=1S/C23H20N8O/c1-13-24-20(16-10-11-16)19(22-25-23(32)28-31(13)22)12-14-6-8-15(9-7-14)17-4-2-3-5-18(17)21-26-29-30-27-21/h2-9,16H,10-12H2,1H3,(H,28,32)(H,26,27,29,30)
InChIKeyXUQSZZSSGXTHSB-UHFFFAOYSA-N
MW424.47 g/mol
LogP3.04
Rot. Bonds5

About 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

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 (PubChem CID 10093827) has the molecular formula C23H20N8O and a molecular weight of 424.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-cyclopropyl-5-methyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3H-[1,2,4]triazolo[1,5-c]pyrimidin-2-one
PubChem CID10093827
Molecular FormulaC23H20N8O
Molecular Weight424.47 g/mol
Exact Mass424.18
IUPAC Name7-cyclopropyl-5-methyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3H-[1,2,4]triazolo[1,5-c]pyrimidin-2-one
SMILESCc1nc(C2CC2)c(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c2nc(=O)[nH]n12
InChIInChI=1S/C23H20N8O/c1-13-24-20(16-10-11-16)19(22-25-23(32)28-31(13)22)12-14-6-8-15(9-7-14)17-4-2-3-5-18(17)21-26-29-30-27-21/h2-9,16H,10-12H2,1H3,(H,28,32)(H,26,27,29,30)
InChIKeyXUQSZZSSGXTHSB-UHFFFAOYSA-N
XLogP3.04
TPSA117.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.47
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nc(C2CC2)c(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c2nc(=O)[nH]n12.
What is the InChIKey of 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?
The InChIKey is XUQSZZSSGXTHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N8O/c1-13-24-20(16-10-11-16)19(22-25-23(32)28-31(13)22)12-14-6-8-15(9-7-14)17-4-2-3-5-18(17)21-26-29-30-27-21/h2-9,16H,10-12H2,1H3,(H,28,32)(H,26,27,29,30).
What are the key properties of 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?
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 has a molecular weight of 424.47 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 10093827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).