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

C16H13N5 — CID 22479813

IUPAC3-(4-methylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole
SMILESCc1ccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)cc1
InChIInChI=1S/C16H13N5/c1-10-2-4-11(5-3-10)15-13-8-12(16-17-9-18-21-16)6-7-14(13)19-20-15/h2-9H,1H3,(H,19,20)(H,17,18,21)
InChIKeyDUWWIWPTHSREKK-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.32
Rot. Bonds2

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

3-(4-methylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole (PubChem CID 22479813) has the molecular formula C16H13N5 and a molecular weight of 275.31 g/mol. Its IUPAC name is 3-(4-methylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole.

Molecular Properties

Compound Name3-(4-methylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole
PubChem CID22479813
Molecular FormulaC16H13N5
Molecular Weight275.31 g/mol
Exact Mass275.12
IUPAC Name3-(4-methylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole
SMILESCc1ccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)cc1
InChIInChI=1S/C16H13N5/c1-10-2-4-11(5-3-10)15-13-8-12(16-17-9-18-21-16)6-7-14(13)19-20-15/h2-9H,1H3,(H,19,20)(H,17,18,21)
InChIKeyDUWWIWPTHSREKK-UHFFFAOYSA-N
XLogP3.32
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole?
The IUPAC name of 3-(4-methylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole (CID 22479813) is 3-(4-methylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole.
What is the SMILES notation for 3-(4-methylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole?
The canonical SMILES for 3-(4-methylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole is Cc1ccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)cc1.
What is the InChIKey of 3-(4-methylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole?
The InChIKey is DUWWIWPTHSREKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5/c1-10-2-4-11(5-3-10)15-13-8-12(16-17-9-18-21-16)6-7-14(13)19-20-15/h2-9H,1H3,(H,19,20)(H,17,18,21).
What are the key properties of 3-(4-methylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole?
3-(4-methylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole has a molecular weight of 275.31 g/mol, XLogP of 3.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole is sourced from PubChem (CID 22479813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).