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

C10H9N5 — CID 167756321

IUPAC4-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-indazole
SMILESCc1nc(-c2cccc3[nH]ncc23)n[nH]1
InChIInChI=1S/C10H9N5/c1-6-12-10(15-13-6)7-3-2-4-9-8(7)5-11-14-9/h2-5H,1H3,(H,11,14)(H,12,13,15)
InChIKeySDDUUEWCDNGBHC-UHFFFAOYSA-N
MW199.22 g/mol
LogP1.66
Rot. Bonds1

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

4-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-indazole (PubChem CID 167756321) has the molecular formula C10H9N5 and a molecular weight of 199.22 g/mol. Its IUPAC name is 4-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-indazole.

Molecular Properties

Compound Name4-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-indazole
PubChem CID167756321
Molecular FormulaC10H9N5
Molecular Weight199.22 g/mol
Exact Mass199.09
IUPAC Name4-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-indazole
SMILESCc1nc(-c2cccc3[nH]ncc23)n[nH]1
InChIInChI=1S/C10H9N5/c1-6-12-10(15-13-6)7-3-2-4-9-8(7)5-11-14-9/h2-5H,1H3,(H,11,14)(H,12,13,15)
InChIKeySDDUUEWCDNGBHC-UHFFFAOYSA-N
XLogP1.66
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-indazole?
The IUPAC name of 4-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-indazole (CID 167756321) is 4-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-indazole.
What is the SMILES notation for 4-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-indazole?
The canonical SMILES for 4-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-indazole is Cc1nc(-c2cccc3[nH]ncc23)n[nH]1.
What is the InChIKey of 4-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-indazole?
The InChIKey is SDDUUEWCDNGBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5/c1-6-12-10(15-13-6)7-3-2-4-9-8(7)5-11-14-9/h2-5H,1H3,(H,11,14)(H,12,13,15).
What are the key properties of 4-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-indazole?
4-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-indazole has a molecular weight of 199.22 g/mol, XLogP of 1.66, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-indazole is sourced from PubChem (CID 167756321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).