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

C18H15ClN6O — CID 136665722

IUPAC5-[(4-chlorophenyl)methylamino]-7-(5-methyl-1H-1,2,4-triazol-3-yl)-1,6-naphthyridin-8-ol
SMILESCc1nc(-c2nc(NCc3ccc(Cl)cc3)c3cccnc3c2O)n[nH]1
InChIInChI=1S/C18H15ClN6O/c1-10-22-18(25-24-10)15-16(26)14-13(3-2-8-20-14)17(23-15)21-9-11-4-6-12(19)7-5-11/h2-8,26H,9H2,1H3,(H,21,23)(H,22,24,25)
InChIKeyDIXHCYQSXOUXLR-UHFFFAOYSA-N
MW366.81 g/mol
LogP3.69
Rot. Bonds4

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

5-[(4-chlorophenyl)methylamino]-7-(5-methyl-1H-1,2,4-triazol-3-yl)-1,6-naphthyridin-8-ol (PubChem CID 136665722) has the molecular formula C18H15ClN6O and a molecular weight of 366.81 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methylamino]-7-(5-methyl-1H-1,2,4-triazol-3-yl)-1,6-naphthyridin-8-ol.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methylamino]-7-(5-methyl-1H-1,2,4-triazol-3-yl)-1,6-naphthyridin-8-ol
PubChem CID136665722
Molecular FormulaC18H15ClN6O
Molecular Weight366.81 g/mol
Exact Mass366.10
IUPAC Name5-[(4-chlorophenyl)methylamino]-7-(5-methyl-1H-1,2,4-triazol-3-yl)-1,6-naphthyridin-8-ol
SMILESCc1nc(-c2nc(NCc3ccc(Cl)cc3)c3cccnc3c2O)n[nH]1
InChIInChI=1S/C18H15ClN6O/c1-10-22-18(25-24-10)15-16(26)14-13(3-2-8-20-14)17(23-15)21-9-11-4-6-12(19)7-5-11/h2-8,26H,9H2,1H3,(H,21,23)(H,22,24,25)
InChIKeyDIXHCYQSXOUXLR-UHFFFAOYSA-N
XLogP3.69
TPSA99.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.81
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methylamino]-7-(5-methyl-1H-1,2,4-triazol-3-yl)-1,6-naphthyridin-8-ol?
The IUPAC name of 5-[(4-chlorophenyl)methylamino]-7-(5-methyl-1H-1,2,4-triazol-3-yl)-1,6-naphthyridin-8-ol (CID 136665722) is 5-[(4-chlorophenyl)methylamino]-7-(5-methyl-1H-1,2,4-triazol-3-yl)-1,6-naphthyridin-8-ol.
What is the SMILES notation for 5-[(4-chlorophenyl)methylamino]-7-(5-methyl-1H-1,2,4-triazol-3-yl)-1,6-naphthyridin-8-ol?
The canonical SMILES for 5-[(4-chlorophenyl)methylamino]-7-(5-methyl-1H-1,2,4-triazol-3-yl)-1,6-naphthyridin-8-ol is Cc1nc(-c2nc(NCc3ccc(Cl)cc3)c3cccnc3c2O)n[nH]1.
What is the InChIKey of 5-[(4-chlorophenyl)methylamino]-7-(5-methyl-1H-1,2,4-triazol-3-yl)-1,6-naphthyridin-8-ol?
The InChIKey is DIXHCYQSXOUXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN6O/c1-10-22-18(25-24-10)15-16(26)14-13(3-2-8-20-14)17(23-15)21-9-11-4-6-12(19)7-5-11/h2-8,26H,9H2,1H3,(H,21,23)(H,22,24,25).
What are the key properties of 5-[(4-chlorophenyl)methylamino]-7-(5-methyl-1H-1,2,4-triazol-3-yl)-1,6-naphthyridin-8-ol?
5-[(4-chlorophenyl)methylamino]-7-(5-methyl-1H-1,2,4-triazol-3-yl)-1,6-naphthyridin-8-ol has a molecular weight of 366.81 g/mol, XLogP of 3.69, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)methylamino]-7-(5-methyl-1H-1,2,4-triazol-3-yl)-1,6-naphthyridin-8-ol is sourced from PubChem (CID 136665722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).