6-(2H-benzotriazole-5-carbonyl)-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C20H16N6O2 — CID 155515927

IUPAC6-(2H-benzotriazole-5-carbonyl)-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=C(c1ccc2n[nH]nc2c1)N1CCc2nc(-c3ccccc3)[nH]c(=O)c2C1
InChIInChI=1S/C20H16N6O2/c27-19-14-11-26(20(28)13-6-7-16-17(10-13)24-25-23-16)9-8-15(14)21-18(22-19)12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,21,22,27)(H,23,24,25)
InChIKeyIITLNHDQIZPZRV-UHFFFAOYSA-N
MW372.39 g/mol
LogP1.91
Rot. Bonds2

About 6-(2H-benzotriazole-5-carbonyl)-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-(2H-benzotriazole-5-carbonyl)-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 155515927) has the molecular formula C20H16N6O2 and a molecular weight of 372.39 g/mol. Its IUPAC name is 6-(2H-benzotriazole-5-carbonyl)-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(2H-benzotriazole-5-carbonyl)-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID155515927
Molecular FormulaC20H16N6O2
Molecular Weight372.39 g/mol
Exact Mass372.13
IUPAC Name6-(2H-benzotriazole-5-carbonyl)-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=C(c1ccc2n[nH]nc2c1)N1CCc2nc(-c3ccccc3)[nH]c(=O)c2C1
InChIInChI=1S/C20H16N6O2/c27-19-14-11-26(20(28)13-6-7-16-17(10-13)24-25-23-16)9-8-15(14)21-18(22-19)12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,21,22,27)(H,23,24,25)
InChIKeyIITLNHDQIZPZRV-UHFFFAOYSA-N
XLogP1.91
TPSA107.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2H-benzotriazole-5-carbonyl)-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-(2H-benzotriazole-5-carbonyl)-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 155515927) is 6-(2H-benzotriazole-5-carbonyl)-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-(2H-benzotriazole-5-carbonyl)-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-(2H-benzotriazole-5-carbonyl)-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is O=C(c1ccc2n[nH]nc2c1)N1CCc2nc(-c3ccccc3)[nH]c(=O)c2C1.
What is the InChIKey of 6-(2H-benzotriazole-5-carbonyl)-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is IITLNHDQIZPZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O2/c27-19-14-11-26(20(28)13-6-7-16-17(10-13)24-25-23-16)9-8-15(14)21-18(22-19)12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,21,22,27)(H,23,24,25).
What are the key properties of 6-(2H-benzotriazole-5-carbonyl)-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-(2H-benzotriazole-5-carbonyl)-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 372.39 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2H-benzotriazole-5-carbonyl)-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 155515927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).