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

C17H12ClN5O — CID 135507442

IUPAC7-[5-[(3-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol
SMILESOc1c(-c2n[nH]c(Cc3cccc(Cl)c3)n2)ncc2cccnc12
InChIInChI=1S/C17H12ClN5O/c18-12-5-1-3-10(7-12)8-13-21-17(23-22-13)15-16(24)14-11(9-20-15)4-2-6-19-14/h1-7,9,24H,8H2,(H,21,22,23)
InChIKeyUCATYRYLEQBYDB-UHFFFAOYSA-N
MW337.77 g/mol
LogP3.36
Rot. Bonds3

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

7-[5-[(3-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol (PubChem CID 135507442) has the molecular formula C17H12ClN5O and a molecular weight of 337.77 g/mol. Its IUPAC name is 7-[5-[(3-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol.

Molecular Properties

Compound Name7-[5-[(3-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol
PubChem CID135507442
Molecular FormulaC17H12ClN5O
Molecular Weight337.77 g/mol
Exact Mass337.07
IUPAC Name7-[5-[(3-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol
SMILESOc1c(-c2n[nH]c(Cc3cccc(Cl)c3)n2)ncc2cccnc12
InChIInChI=1S/C17H12ClN5O/c18-12-5-1-3-10(7-12)8-13-21-17(23-22-13)15-16(24)14-11(9-20-15)4-2-6-19-14/h1-7,9,24H,8H2,(H,21,22,23)
InChIKeyUCATYRYLEQBYDB-UHFFFAOYSA-N
XLogP3.36
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.77
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-[5-[(3-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol with MolForge

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Related Compounds

7-(5-benzyl-4H-1,2,4-triazol-3-yl)-1,6-naphthyridin-8-ol
CID 135422932
7-(5-phenethyl-4H-1,2,4-triazol-3-yl)-1,6-naphthyridin-8-ol
CID 135424644
7-[5-(4-Fluorobenzyl)-4H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol
CID 135518254
7-[5-[(4-chlorophenyl)methyl]-4H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol
CID 135540473
3-chloro-4-[[7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-yl]amino]phenol
CID 136042193
7-[5-(4-pyridylmethyl)-4H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol
CID 135445370
7-[5-(3-Methoxybenzyl)-4H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol
CID 135471214
7-[5-(3-pyridylmethyl)-4H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol
CID 135497031
7-[5-[(4-Fluorophenyl)methyl]-1-methyl-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol
CID 135869505
5-(1,1-dioxothiazinan-2-yl)-7-[5-[(4-fluorophenyl)methyl]-4H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol
CID 135448260
7-[5-[(4-Fluorophenyl)methyl]-2-methyl-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol
CID 135869506
5-[(4-chlorophenyl)methylamino]-7-(5-methyl-1H-1,2,4-triazol-3-yl)-1,6-naphthyridin-8-ol
CID 136665722

Frequently Asked Questions

What is the IUPAC name of 7-[5-[(3-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol?
The IUPAC name of 7-[5-[(3-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol (CID 135507442) is 7-[5-[(3-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol.
What is the SMILES notation for 7-[5-[(3-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol?
The canonical SMILES for 7-[5-[(3-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol is Oc1c(-c2n[nH]c(Cc3cccc(Cl)c3)n2)ncc2cccnc12.
What is the InChIKey of 7-[5-[(3-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol?
The InChIKey is UCATYRYLEQBYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN5O/c18-12-5-1-3-10(7-12)8-13-21-17(23-22-13)15-16(24)14-11(9-20-15)4-2-6-19-14/h1-7,9,24H,8H2,(H,21,22,23).
What are the key properties of 7-[5-[(3-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol?
7-[5-[(3-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol has a molecular weight of 337.77 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-[(3-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol is sourced from PubChem (CID 135507442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).