3-methoxy-N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide

C19H15N5O3 — CID 6485799

IUPAC3-methoxy-N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
SMILESCOc1cccc(C(=O)Nc2nc3nc(-c4ccccc4)cc(=O)n3[nH]2)c1
InChIInChI=1S/C19H15N5O3/c1-27-14-9-5-8-13(10-14)17(26)21-18-22-19-20-15(11-16(25)24(19)23-18)12-6-3-2-4-7-12/h2-11H,1H3,(H2,20,21,22,23,26)
InChIKeyUJBVWARUALJBKF-UHFFFAOYSA-N
MW361.36 g/mol
LogP2.35
Rot. Bonds4

About 3-methoxy-N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide

3-methoxy-N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide (PubChem CID 6485799) has the molecular formula C19H15N5O3 and a molecular weight of 361.36 g/mol. Its IUPAC name is 3-methoxy-N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide.

Molecular Properties

Compound Name3-methoxy-N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
PubChem CID6485799
Molecular FormulaC19H15N5O3
Molecular Weight361.36 g/mol
Exact Mass361.12
IUPAC Name3-methoxy-N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
SMILESCOc1cccc(C(=O)Nc2nc3nc(-c4ccccc4)cc(=O)n3[nH]2)c1
InChIInChI=1S/C19H15N5O3/c1-27-14-9-5-8-13(10-14)17(26)21-18-22-19-20-15(11-16(25)24(19)23-18)12-6-3-2-4-7-12/h2-11H,1H3,(H2,20,21,22,23,26)
InChIKeyUJBVWARUALJBKF-UHFFFAOYSA-N
XLogP2.35
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide?
The IUPAC name of 3-methoxy-N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide (CID 6485799) is 3-methoxy-N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide.
What is the SMILES notation for 3-methoxy-N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide?
The canonical SMILES for 3-methoxy-N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide is COc1cccc(C(=O)Nc2nc3nc(-c4ccccc4)cc(=O)n3[nH]2)c1.
What is the InChIKey of 3-methoxy-N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide?
The InChIKey is UJBVWARUALJBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O3/c1-27-14-9-5-8-13(10-14)17(26)21-18-22-19-20-15(11-16(25)24(19)23-18)12-6-3-2-4-7-12/h2-11H,1H3,(H2,20,21,22,23,26).
What are the key properties of 3-methoxy-N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide?
3-methoxy-N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide has a molecular weight of 361.36 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide is sourced from PubChem (CID 6485799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).