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

C22H20N8O — CID 10053872

IUPAC7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3H-[1,2,4]triazolo[1,5-c]pyrimidin-2-one
SMILESCCCc1ncn2[nH]c(=O)nc2c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C22H20N8O/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,(H,27,31)(H,25,26,28,29)
InChIKeyUYVSKIQQPYXBSD-UHFFFAOYSA-N
MW412.46 g/mol
LogP2.81
Rot. Bonds6

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

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 10053872) has the molecular formula C22H20N8O and a molecular weight of 412.46 g/mol. Its IUPAC name is 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 Name7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3H-[1,2,4]triazolo[1,5-c]pyrimidin-2-one
PubChem CID10053872
Molecular FormulaC22H20N8O
Molecular Weight412.46 g/mol
Exact Mass412.18
IUPAC Name7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3H-[1,2,4]triazolo[1,5-c]pyrimidin-2-one
SMILESCCCc1ncn2[nH]c(=O)nc2c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C22H20N8O/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,(H,27,31)(H,25,26,28,29)
InChIKeyUYVSKIQQPYXBSD-UHFFFAOYSA-N
XLogP2.81
TPSA117.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.46
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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
7-butyl-5-methyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2H-[1,2,4]triazolo[4,3-c]pyrimidine-3-thione
CID 10027078
5-methyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2H-[1,2,4]triazolo[4,3-c]pyrimidine-3-thione
CID 10049001
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
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
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 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 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) is 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 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 7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3H-[1,2,4]triazolo[1,5-c]pyrimidin-2-one is CCCc1ncn2[nH]c(=O)nc2c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.
What is the InChIKey of 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 UYVSKIQQPYXBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N8O/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,(H,27,31)(H,25,26,28,29).
What are the key properties of 7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3H-[1,2,4]triazolo[1,5-c]pyrimidin-2-one?
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 412.46 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 10053872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).