1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]quinoxalin-2-one

C14H15N5O — CID 72912189

IUPAC1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]quinoxalin-2-one
SMILESCC(C)n1cnnc1Cn1c(=O)cnc2ccccc21
InChIInChI=1S/C14H15N5O/c1-10(2)19-9-16-17-13(19)8-18-12-6-4-3-5-11(12)15-7-14(18)20/h3-7,9-10H,8H2,1-2H3
InChIKeyYOUPNKPKBPFBJB-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.62
Rot. Bonds3

About 1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]quinoxalin-2-one

1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]quinoxalin-2-one (PubChem CID 72912189) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]quinoxalin-2-one.

Molecular Properties

Compound Name1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]quinoxalin-2-one
PubChem CID72912189
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]quinoxalin-2-one
SMILESCC(C)n1cnnc1Cn1c(=O)cnc2ccccc21
InChIInChI=1S/C14H15N5O/c1-10(2)19-9-16-17-13(19)8-18-12-6-4-3-5-11(12)15-7-14(18)20/h3-7,9-10H,8H2,1-2H3
InChIKeyYOUPNKPKBPFBJB-UHFFFAOYSA-N
XLogP1.62
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]quinoxalin-2-one?
The IUPAC name of 1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]quinoxalin-2-one (CID 72912189) is 1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]quinoxalin-2-one.
What is the SMILES notation for 1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]quinoxalin-2-one?
The canonical SMILES for 1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]quinoxalin-2-one is CC(C)n1cnnc1Cn1c(=O)cnc2ccccc21.
What is the InChIKey of 1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]quinoxalin-2-one?
The InChIKey is YOUPNKPKBPFBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-10(2)19-9-16-17-13(19)8-18-12-6-4-3-5-11(12)15-7-14(18)20/h3-7,9-10H,8H2,1-2H3.
What are the key properties of 1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]quinoxalin-2-one?
1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]quinoxalin-2-one has a molecular weight of 269.31 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]quinoxalin-2-one is sourced from PubChem (CID 72912189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).