4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-1H-pyridin-2-one

C17H15N5O2 — CID 71918501

IUPAC4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-1H-pyridin-2-one
SMILESO=C(c1cc[nH]c(=O)c1)N1CCn2c(nnc2-c2ccccc2)C1
InChIInChI=1S/C17H15N5O2/c23-15-10-13(6-7-18-15)17(24)21-8-9-22-14(11-21)19-20-16(22)12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,18,23)
InChIKeyDHTZBTNZQLQBIJ-UHFFFAOYSA-N
MW321.34 g/mol
LogP1.29
Rot. Bonds2

About 4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-1H-pyridin-2-one

4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-1H-pyridin-2-one (PubChem CID 71918501) has the molecular formula C17H15N5O2 and a molecular weight of 321.34 g/mol. Its IUPAC name is 4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-1H-pyridin-2-one
PubChem CID71918501
Molecular FormulaC17H15N5O2
Molecular Weight321.34 g/mol
Exact Mass321.12
IUPAC Name4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-1H-pyridin-2-one
SMILESO=C(c1cc[nH]c(=O)c1)N1CCn2c(nnc2-c2ccccc2)C1
InChIInChI=1S/C17H15N5O2/c23-15-10-13(6-7-18-15)17(24)21-8-9-22-14(11-21)19-20-16(22)12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,18,23)
InChIKeyDHTZBTNZQLQBIJ-UHFFFAOYSA-N
XLogP1.29
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-1H-pyridin-2-one?
The IUPAC name of 4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-1H-pyridin-2-one (CID 71918501) is 4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-1H-pyridin-2-one.
What is the SMILES notation for 4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-1H-pyridin-2-one?
The canonical SMILES for 4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-1H-pyridin-2-one is O=C(c1cc[nH]c(=O)c1)N1CCn2c(nnc2-c2ccccc2)C1.
What is the InChIKey of 4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-1H-pyridin-2-one?
The InChIKey is DHTZBTNZQLQBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2/c23-15-10-13(6-7-18-15)17(24)21-8-9-22-14(11-21)19-20-16(22)12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,18,23).
What are the key properties of 4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-1H-pyridin-2-one?
4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-1H-pyridin-2-one has a molecular weight of 321.34 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-1H-pyridin-2-one is sourced from PubChem (CID 71918501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).