7-[5-[(4-fluorophenyl)methyl]-1-methyl-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol

C18H14FN5O — CID 135869505

IUPAC7-[5-[(4-fluorophenyl)methyl]-1-methyl-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol
SMILESCn1nc(-c2ncc3cccnc3c2O)nc1Cc1ccc(F)cc1
InChIInChI=1S/C18H14FN5O/c1-24-14(9-11-4-6-13(19)7-5-11)22-18(23-24)16-17(25)15-12(10-21-16)3-2-8-20-15/h2-8,10,25H,9H2,1H3
InChIKeyNQSSBVHVWLNQLM-UHFFFAOYSA-N
MW335.34 g/mol
LogP2.86
Rot. Bonds3

About 7-[5-[(4-fluorophenyl)methyl]-1-methyl-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol

7-[5-[(4-fluorophenyl)methyl]-1-methyl-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol (PubChem CID 135869505) has the molecular formula C18H14FN5O and a molecular weight of 335.34 g/mol. Its IUPAC name is 7-[5-[(4-fluorophenyl)methyl]-1-methyl-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol.

Molecular Properties

Compound Name7-[5-[(4-fluorophenyl)methyl]-1-methyl-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol
PubChem CID135869505
Molecular FormulaC18H14FN5O
Molecular Weight335.34 g/mol
Exact Mass335.12
IUPAC Name7-[5-[(4-fluorophenyl)methyl]-1-methyl-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol
SMILESCn1nc(-c2ncc3cccnc3c2O)nc1Cc1ccc(F)cc1
InChIInChI=1S/C18H14FN5O/c1-24-14(9-11-4-6-13(19)7-5-11)22-18(23-24)16-17(25)15-12(10-21-16)3-2-8-20-15/h2-8,10,25H,9H2,1H3
InChIKeyNQSSBVHVWLNQLM-UHFFFAOYSA-N
XLogP2.86
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[5-[(4-fluorophenyl)methyl]-1-methyl-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol?
The IUPAC name of 7-[5-[(4-fluorophenyl)methyl]-1-methyl-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol (CID 135869505) is 7-[5-[(4-fluorophenyl)methyl]-1-methyl-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol.
What is the SMILES notation for 7-[5-[(4-fluorophenyl)methyl]-1-methyl-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol?
The canonical SMILES for 7-[5-[(4-fluorophenyl)methyl]-1-methyl-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol is Cn1nc(-c2ncc3cccnc3c2O)nc1Cc1ccc(F)cc1.
What is the InChIKey of 7-[5-[(4-fluorophenyl)methyl]-1-methyl-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol?
The InChIKey is NQSSBVHVWLNQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5O/c1-24-14(9-11-4-6-13(19)7-5-11)22-18(23-24)16-17(25)15-12(10-21-16)3-2-8-20-15/h2-8,10,25H,9H2,1H3.
What are the key properties of 7-[5-[(4-fluorophenyl)methyl]-1-methyl-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol?
7-[5-[(4-fluorophenyl)methyl]-1-methyl-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol has a molecular weight of 335.34 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-[(4-fluorophenyl)methyl]-1-methyl-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol is sourced from PubChem (CID 135869505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).