3-(6-methoxynaphthalen-2-yl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole

C20H15N5O — CID 11617071

IUPAC3-(6-methoxynaphthalen-2-yl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole
SMILESCOc1ccc2cc(-c3n[nH]c4ccc(-c5ncn[nH]5)cc34)ccc2c1
InChIInChI=1S/C20H15N5O/c1-26-16-6-4-12-8-14(3-2-13(12)9-16)19-17-10-15(20-21-11-22-25-20)5-7-18(17)23-24-19/h2-11H,1H3,(H,23,24)(H,21,22,25)
InChIKeyDGVDFKILQAVBSH-UHFFFAOYSA-N
MW341.37 g/mol
LogP4.18
Rot. Bonds3

About 3-(6-methoxynaphthalen-2-yl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole

3-(6-methoxynaphthalen-2-yl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole (PubChem CID 11617071) has the molecular formula C20H15N5O and a molecular weight of 341.37 g/mol. Its IUPAC name is 3-(6-methoxynaphthalen-2-yl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole.

Molecular Properties

Compound Name3-(6-methoxynaphthalen-2-yl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole
PubChem CID11617071
Molecular FormulaC20H15N5O
Molecular Weight341.37 g/mol
Exact Mass341.13
IUPAC Name3-(6-methoxynaphthalen-2-yl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole
SMILESCOc1ccc2cc(-c3n[nH]c4ccc(-c5ncn[nH]5)cc34)ccc2c1
InChIInChI=1S/C20H15N5O/c1-26-16-6-4-12-8-14(3-2-13(12)9-16)19-17-10-15(20-21-11-22-25-20)5-7-18(17)23-24-19/h2-11H,1H3,(H,23,24)(H,21,22,25)
InChIKeyDGVDFKILQAVBSH-UHFFFAOYSA-N
XLogP4.18
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxynaphthalen-2-yl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole?
The IUPAC name of 3-(6-methoxynaphthalen-2-yl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole (CID 11617071) is 3-(6-methoxynaphthalen-2-yl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole.
What is the SMILES notation for 3-(6-methoxynaphthalen-2-yl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole?
The canonical SMILES for 3-(6-methoxynaphthalen-2-yl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole is COc1ccc2cc(-c3n[nH]c4ccc(-c5ncn[nH]5)cc34)ccc2c1.
What is the InChIKey of 3-(6-methoxynaphthalen-2-yl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole?
The InChIKey is DGVDFKILQAVBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O/c1-26-16-6-4-12-8-14(3-2-13(12)9-16)19-17-10-15(20-21-11-22-25-20)5-7-18(17)23-24-19/h2-11H,1H3,(H,23,24)(H,21,22,25).
What are the key properties of 3-(6-methoxynaphthalen-2-yl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole?
3-(6-methoxynaphthalen-2-yl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole has a molecular weight of 341.37 g/mol, XLogP of 4.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxynaphthalen-2-yl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole is sourced from PubChem (CID 11617071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).