1-methyl-4-[1-(1H-1,2,4-triazol-5-yl)ethylamino]quinolin-2-one

C14H15N5O — CID 106282955

IUPAC1-methyl-4-[1-(1H-1,2,4-triazol-5-yl)ethylamino]quinolin-2-one
SMILESCC(Nc1cc(=O)n(C)c2ccccc12)c1ncn[nH]1
InChIInChI=1S/C14H15N5O/c1-9(14-15-8-16-18-14)17-11-7-13(20)19(2)12-6-4-3-5-10(11)12/h3-9,17H,1-2H3,(H,15,16,18)
InChIKeyXKTBPKJHLMOIGD-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.83
Rot. Bonds3

About 1-methyl-4-[1-(1H-1,2,4-triazol-5-yl)ethylamino]quinolin-2-one

1-methyl-4-[1-(1H-1,2,4-triazol-5-yl)ethylamino]quinolin-2-one (PubChem CID 106282955) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 1-methyl-4-[1-(1H-1,2,4-triazol-5-yl)ethylamino]quinolin-2-one.

Molecular Properties

Compound Name1-methyl-4-[1-(1H-1,2,4-triazol-5-yl)ethylamino]quinolin-2-one
PubChem CID106282955
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name1-methyl-4-[1-(1H-1,2,4-triazol-5-yl)ethylamino]quinolin-2-one
SMILESCC(Nc1cc(=O)n(C)c2ccccc12)c1ncn[nH]1
InChIInChI=1S/C14H15N5O/c1-9(14-15-8-16-18-14)17-11-7-13(20)19(2)12-6-4-3-5-10(11)12/h3-9,17H,1-2H3,(H,15,16,18)
InChIKeyXKTBPKJHLMOIGD-UHFFFAOYSA-N
XLogP1.83
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[1-(1H-1,2,4-triazol-5-yl)ethylamino]quinolin-2-one?
The IUPAC name of 1-methyl-4-[1-(1H-1,2,4-triazol-5-yl)ethylamino]quinolin-2-one (CID 106282955) is 1-methyl-4-[1-(1H-1,2,4-triazol-5-yl)ethylamino]quinolin-2-one.
What is the SMILES notation for 1-methyl-4-[1-(1H-1,2,4-triazol-5-yl)ethylamino]quinolin-2-one?
The canonical SMILES for 1-methyl-4-[1-(1H-1,2,4-triazol-5-yl)ethylamino]quinolin-2-one is CC(Nc1cc(=O)n(C)c2ccccc12)c1ncn[nH]1.
What is the InChIKey of 1-methyl-4-[1-(1H-1,2,4-triazol-5-yl)ethylamino]quinolin-2-one?
The InChIKey is XKTBPKJHLMOIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-9(14-15-8-16-18-14)17-11-7-13(20)19(2)12-6-4-3-5-10(11)12/h3-9,17H,1-2H3,(H,15,16,18).
What are the key properties of 1-methyl-4-[1-(1H-1,2,4-triazol-5-yl)ethylamino]quinolin-2-one?
1-methyl-4-[1-(1H-1,2,4-triazol-5-yl)ethylamino]quinolin-2-one has a molecular weight of 269.31 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[1-(1H-1,2,4-triazol-5-yl)ethylamino]quinolin-2-one is sourced from PubChem (CID 106282955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).