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

C19H13N5 — CID 11695290

IUPAC3-naphthalen-2-yl-5-(1H-1,2,4-triazol-5-yl)-1H-indazole
SMILESc1ccc2cc(-c3n[nH]c4ccc(-c5ncn[nH]5)cc34)ccc2c1
InChIInChI=1S/C19H13N5/c1-2-4-13-9-14(6-5-12(13)3-1)18-16-10-15(19-20-11-21-24-19)7-8-17(16)22-23-18/h1-11H,(H,22,23)(H,20,21,24)
InChIKeyYQPNZBXYVSTBTI-UHFFFAOYSA-N
MW311.35 g/mol
LogP4.17
Rot. Bonds2

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

3-naphthalen-2-yl-5-(1H-1,2,4-triazol-5-yl)-1H-indazole (PubChem CID 11695290) has the molecular formula C19H13N5 and a molecular weight of 311.35 g/mol. Its IUPAC name is 3-naphthalen-2-yl-5-(1H-1,2,4-triazol-5-yl)-1H-indazole.

Molecular Properties

Compound Name3-naphthalen-2-yl-5-(1H-1,2,4-triazol-5-yl)-1H-indazole
PubChem CID11695290
Molecular FormulaC19H13N5
Molecular Weight311.35 g/mol
Exact Mass311.12
IUPAC Name3-naphthalen-2-yl-5-(1H-1,2,4-triazol-5-yl)-1H-indazole
SMILESc1ccc2cc(-c3n[nH]c4ccc(-c5ncn[nH]5)cc34)ccc2c1
InChIInChI=1S/C19H13N5/c1-2-4-13-9-14(6-5-12(13)3-1)18-16-10-15(19-20-11-21-24-19)7-8-17(16)22-23-18/h1-11H,(H,22,23)(H,20,21,24)
InChIKeyYQPNZBXYVSTBTI-UHFFFAOYSA-N
XLogP4.17
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-2-yl-5-(1H-1,2,4-triazol-5-yl)-1H-indazole?
The IUPAC name of 3-naphthalen-2-yl-5-(1H-1,2,4-triazol-5-yl)-1H-indazole (CID 11695290) is 3-naphthalen-2-yl-5-(1H-1,2,4-triazol-5-yl)-1H-indazole.
What is the SMILES notation for 3-naphthalen-2-yl-5-(1H-1,2,4-triazol-5-yl)-1H-indazole?
The canonical SMILES for 3-naphthalen-2-yl-5-(1H-1,2,4-triazol-5-yl)-1H-indazole is c1ccc2cc(-c3n[nH]c4ccc(-c5ncn[nH]5)cc34)ccc2c1.
What is the InChIKey of 3-naphthalen-2-yl-5-(1H-1,2,4-triazol-5-yl)-1H-indazole?
The InChIKey is YQPNZBXYVSTBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N5/c1-2-4-13-9-14(6-5-12(13)3-1)18-16-10-15(19-20-11-21-24-19)7-8-17(16)22-23-18/h1-11H,(H,22,23)(H,20,21,24).
What are the key properties of 3-naphthalen-2-yl-5-(1H-1,2,4-triazol-5-yl)-1H-indazole?
3-naphthalen-2-yl-5-(1H-1,2,4-triazol-5-yl)-1H-indazole has a molecular weight of 311.35 g/mol, XLogP of 4.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-2-yl-5-(1H-1,2,4-triazol-5-yl)-1H-indazole is sourced from PubChem (CID 11695290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).