4-[3-hydroxy-3-(2-methyl-1,2,4-triazol-3-yl)azetidin-1-yl]-1H-1,8-naphthyridin-2-one

C14H14N6O2 — CID 146150184

IUPAC4-[3-hydroxy-3-(2-methyl-1,2,4-triazol-3-yl)azetidin-1-yl]-1H-1,8-naphthyridin-2-one
SMILESCn1ncnc1C1(O)CN(c2cc(=O)[nH]c3ncccc23)C1
InChIInChI=1S/C14H14N6O2/c1-19-13(16-8-17-19)14(22)6-20(7-14)10-5-11(21)18-12-9(10)3-2-4-15-12/h2-5,8,22H,6-7H2,1H3,(H,15,18,21)
InChIKeyBHIXMILJFJNXQY-UHFFFAOYSA-N
MW298.31 g/mol
LogP-0.24
Rot. Bonds2

About 4-[3-hydroxy-3-(2-methyl-1,2,4-triazol-3-yl)azetidin-1-yl]-1H-1,8-naphthyridin-2-one

4-[3-hydroxy-3-(2-methyl-1,2,4-triazol-3-yl)azetidin-1-yl]-1H-1,8-naphthyridin-2-one (PubChem CID 146150184) has the molecular formula C14H14N6O2 and a molecular weight of 298.31 g/mol. Its IUPAC name is 4-[3-hydroxy-3-(2-methyl-1,2,4-triazol-3-yl)azetidin-1-yl]-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name4-[3-hydroxy-3-(2-methyl-1,2,4-triazol-3-yl)azetidin-1-yl]-1H-1,8-naphthyridin-2-one
PubChem CID146150184
Molecular FormulaC14H14N6O2
Molecular Weight298.31 g/mol
Exact Mass298.12
IUPAC Name4-[3-hydroxy-3-(2-methyl-1,2,4-triazol-3-yl)azetidin-1-yl]-1H-1,8-naphthyridin-2-one
SMILESCn1ncnc1C1(O)CN(c2cc(=O)[nH]c3ncccc23)C1
InChIInChI=1S/C14H14N6O2/c1-19-13(16-8-17-19)14(22)6-20(7-14)10-5-11(21)18-12-9(10)3-2-4-15-12/h2-5,8,22H,6-7H2,1H3,(H,15,18,21)
InChIKeyBHIXMILJFJNXQY-UHFFFAOYSA-N
XLogP-0.24
TPSA99.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[3-hydroxy-3-(2-methyl-1,2,4-triazol-3-yl)azetidin-1-yl]-1H-1,8-naphthyridin-2-one?
The IUPAC name of 4-[3-hydroxy-3-(2-methyl-1,2,4-triazol-3-yl)azetidin-1-yl]-1H-1,8-naphthyridin-2-one (CID 146150184) is 4-[3-hydroxy-3-(2-methyl-1,2,4-triazol-3-yl)azetidin-1-yl]-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 4-[3-hydroxy-3-(2-methyl-1,2,4-triazol-3-yl)azetidin-1-yl]-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 4-[3-hydroxy-3-(2-methyl-1,2,4-triazol-3-yl)azetidin-1-yl]-1H-1,8-naphthyridin-2-one is Cn1ncnc1C1(O)CN(c2cc(=O)[nH]c3ncccc23)C1.
What is the InChIKey of 4-[3-hydroxy-3-(2-methyl-1,2,4-triazol-3-yl)azetidin-1-yl]-1H-1,8-naphthyridin-2-one?
The InChIKey is BHIXMILJFJNXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O2/c1-19-13(16-8-17-19)14(22)6-20(7-14)10-5-11(21)18-12-9(10)3-2-4-15-12/h2-5,8,22H,6-7H2,1H3,(H,15,18,21).
What are the key properties of 4-[3-hydroxy-3-(2-methyl-1,2,4-triazol-3-yl)azetidin-1-yl]-1H-1,8-naphthyridin-2-one?
4-[3-hydroxy-3-(2-methyl-1,2,4-triazol-3-yl)azetidin-1-yl]-1H-1,8-naphthyridin-2-one has a molecular weight of 298.31 g/mol, XLogP of -0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-hydroxy-3-(2-methyl-1,2,4-triazol-3-yl)azetidin-1-yl]-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 146150184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).