1-cyclopropyl-2-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]ethanone

C16H15N5O — CID 158116535

IUPAC1-cyclopropyl-2-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]ethanone
SMILESCn1cc(-c2cc3cc(CC(=O)C4CC4)ncc3cn2)nn1
InChIInChI=1S/C16H15N5O/c1-21-9-15(19-20-21)14-5-11-4-13(6-16(22)10-2-3-10)17-7-12(11)8-18-14/h4-5,7-10H,2-3,6H2,1H3
InChIKeyFRBQVTWAYNCWQW-UHFFFAOYSA-N
MW293.33 g/mol
LogP1.95
Rot. Bonds4

About 1-cyclopropyl-2-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]ethanone

1-cyclopropyl-2-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]ethanone (PubChem CID 158116535) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is 1-cyclopropyl-2-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]ethanone.

Molecular Properties

Compound Name1-cyclopropyl-2-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]ethanone
PubChem CID158116535
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC Name1-cyclopropyl-2-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]ethanone
SMILESCn1cc(-c2cc3cc(CC(=O)C4CC4)ncc3cn2)nn1
InChIInChI=1S/C16H15N5O/c1-21-9-15(19-20-21)14-5-11-4-13(6-16(22)10-2-3-10)17-7-12(11)8-18-14/h4-5,7-10H,2-3,6H2,1H3
InChIKeyFRBQVTWAYNCWQW-UHFFFAOYSA-N
XLogP1.95
TPSA73.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]ethanone?
The IUPAC name of 1-cyclopropyl-2-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]ethanone (CID 158116535) is 1-cyclopropyl-2-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]ethanone.
What is the SMILES notation for 1-cyclopropyl-2-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]ethanone?
The canonical SMILES for 1-cyclopropyl-2-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]ethanone is Cn1cc(-c2cc3cc(CC(=O)C4CC4)ncc3cn2)nn1.
What is the InChIKey of 1-cyclopropyl-2-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]ethanone?
The InChIKey is FRBQVTWAYNCWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c1-21-9-15(19-20-21)14-5-11-4-13(6-16(22)10-2-3-10)17-7-12(11)8-18-14/h4-5,7-10H,2-3,6H2,1H3.
What are the key properties of 1-cyclopropyl-2-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]ethanone?
1-cyclopropyl-2-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]ethanone has a molecular weight of 293.33 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]ethanone is sourced from PubChem (CID 158116535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).