6-[(3-ethyl-5-methyltriazol-4-yl)methyl]-1,5,7,8-tetrahydro-1,6-naphthyridin-4-one

C14H19N5O — CID 167809814

IUPAC6-[(3-ethyl-5-methyltriazol-4-yl)methyl]-1,5,7,8-tetrahydro-1,6-naphthyridin-4-one
SMILESCCn1nnc(C)c1CN1CCc2[nH]ccc(=O)c2C1
InChIInChI=1S/C14H19N5O/c1-3-19-13(10(2)16-17-19)9-18-7-5-12-11(8-18)14(20)4-6-15-12/h4,6H,3,5,7-9H2,1-2H3,(H,15,20)
InChIKeyPLMJYRWARRPEAM-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.85
Rot. Bonds3

About 6-[(3-ethyl-5-methyltriazol-4-yl)methyl]-1,5,7,8-tetrahydro-1,6-naphthyridin-4-one

6-[(3-ethyl-5-methyltriazol-4-yl)methyl]-1,5,7,8-tetrahydro-1,6-naphthyridin-4-one (PubChem CID 167809814) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 6-[(3-ethyl-5-methyltriazol-4-yl)methyl]-1,5,7,8-tetrahydro-1,6-naphthyridin-4-one.

Molecular Properties

Compound Name6-[(3-ethyl-5-methyltriazol-4-yl)methyl]-1,5,7,8-tetrahydro-1,6-naphthyridin-4-one
PubChem CID167809814
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name6-[(3-ethyl-5-methyltriazol-4-yl)methyl]-1,5,7,8-tetrahydro-1,6-naphthyridin-4-one
SMILESCCn1nnc(C)c1CN1CCc2[nH]ccc(=O)c2C1
InChIInChI=1S/C14H19N5O/c1-3-19-13(10(2)16-17-19)9-18-7-5-12-11(8-18)14(20)4-6-15-12/h4,6H,3,5,7-9H2,1-2H3,(H,15,20)
InChIKeyPLMJYRWARRPEAM-UHFFFAOYSA-N
XLogP0.85
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[(3-ethyl-5-methyltriazol-4-yl)methyl]-1,5,7,8-tetrahydro-1,6-naphthyridin-4-one with MolForge

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Related Compounds

6-[3-(3-methylazetidin-1-yl)propyl]-1,5,7,8-tetrahydro-1,6-naphthyridin-4-one
CID 176924730
methane;6-[2-(1-methylazetidin-3-yl)ethyl]-1,5,7,8-tetrahydro-1,6-naphthyridin-4-one
CID 176923857
2-methyl-6-(4-oxo-1,5,7,8-tetrahydro-1,6-naphthyridin-6-yl)pyridine-3-carbonitrile
CID 138015330
3-ethyl-1-[(3-ethyl-5-methyltriazol-4-yl)methyl]-3-methylpyrrolidine-2,5-dione
CID 128836929
6-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 24919666
6-[(2,8-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 24920884
6-[(2-ethylpyrazol-3-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944579
2-[1-[(3-ethyl-5-methyltriazol-4-yl)methyl]pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidine
CID 136564175
7-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136681056
6-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135943527
6-[(4-methylphenyl)methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione
CID 6625233
7-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136681187

Frequently Asked Questions

What is the IUPAC name of 6-[(3-ethyl-5-methyltriazol-4-yl)methyl]-1,5,7,8-tetrahydro-1,6-naphthyridin-4-one?
The IUPAC name of 6-[(3-ethyl-5-methyltriazol-4-yl)methyl]-1,5,7,8-tetrahydro-1,6-naphthyridin-4-one (CID 167809814) is 6-[(3-ethyl-5-methyltriazol-4-yl)methyl]-1,5,7,8-tetrahydro-1,6-naphthyridin-4-one.
What is the SMILES notation for 6-[(3-ethyl-5-methyltriazol-4-yl)methyl]-1,5,7,8-tetrahydro-1,6-naphthyridin-4-one?
The canonical SMILES for 6-[(3-ethyl-5-methyltriazol-4-yl)methyl]-1,5,7,8-tetrahydro-1,6-naphthyridin-4-one is CCn1nnc(C)c1CN1CCc2[nH]ccc(=O)c2C1.
What is the InChIKey of 6-[(3-ethyl-5-methyltriazol-4-yl)methyl]-1,5,7,8-tetrahydro-1,6-naphthyridin-4-one?
The InChIKey is PLMJYRWARRPEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-3-19-13(10(2)16-17-19)9-18-7-5-12-11(8-18)14(20)4-6-15-12/h4,6H,3,5,7-9H2,1-2H3,(H,15,20).
What are the key properties of 6-[(3-ethyl-5-methyltriazol-4-yl)methyl]-1,5,7,8-tetrahydro-1,6-naphthyridin-4-one?
6-[(3-ethyl-5-methyltriazol-4-yl)methyl]-1,5,7,8-tetrahydro-1,6-naphthyridin-4-one has a molecular weight of 273.34 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-ethyl-5-methyltriazol-4-yl)methyl]-1,5,7,8-tetrahydro-1,6-naphthyridin-4-one is sourced from PubChem (CID 167809814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).