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

C13H13N5 — CID 50972633

IUPAC3-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-2H-indazole
SMILESc1ccc2c(Cc3nc(C4CC4)n[nH]3)[nH]nc2c1
InChIInChI=1S/C13H13N5/c1-2-4-10-9(3-1)11(16-15-10)7-12-14-13(18-17-12)8-5-6-8/h1-4,8H,5-7H2,(H,15,16)(H,14,17,18)
InChIKeyKFAVYARSLJBYGC-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.15
Rot. Bonds3

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

3-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-2H-indazole (PubChem CID 50972633) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is 3-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-2H-indazole.

Molecular Properties

Compound Name3-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-2H-indazole
PubChem CID50972633
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC Name3-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-2H-indazole
SMILESc1ccc2c(Cc3nc(C4CC4)n[nH]3)[nH]nc2c1
InChIInChI=1S/C13H13N5/c1-2-4-10-9(3-1)11(16-15-10)7-12-14-13(18-17-12)8-5-6-8/h1-4,8H,5-7H2,(H,15,16)(H,14,17,18)
InChIKeyKFAVYARSLJBYGC-UHFFFAOYSA-N
XLogP2.15
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]-2H-indazole
CID 74239172
3-cyclopropyl-5-(2-phenylethyl)-1H-1,2,4-triazole
CID 61338115
4-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]aniline
CID 61338923
3-cyclopropyl-5-(phenoxymethyl)-1H-1,2,4-triazole
CID 61336550
3-cyclopropyl-5-[(4-nitrophenyl)methyl]-1H-1,2,4-triazole
CID 66487223
3-cyclohexyl-5-(2-phenylethyl)-1H-1,2,4-triazole
CID 61338132
3-[2-(4-fluorophenyl)ethyl]-2H-indazole
CID 141075671
4-[(3-cyclopentyl-1H-1,2,4-triazol-5-yl)methyl]pyridine
CID 61338891
5-[2-(4-bromophenyl)ethyl]-3-cyclopropyl-1H-1,2,4-triazole
CID 82489831
3-cyclopropyl-5-[[(1S)-2,3-dihydro-1H-inden-1-yl]methyl]-1H-1,2,4-triazole
CID 95129312
N-(2H-indazol-3-ylmethyl)cyclohexanamine
CID 62310025
5-[(4-bromophenyl)methyl]-3-cyclopentyl-1H-1,2,4-triazole
CID 61338319

Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-2H-indazole?
The IUPAC name of 3-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-2H-indazole (CID 50972633) is 3-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-2H-indazole.
What is the SMILES notation for 3-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-2H-indazole?
The canonical SMILES for 3-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-2H-indazole is c1ccc2c(Cc3nc(C4CC4)n[nH]3)[nH]nc2c1.
What is the InChIKey of 3-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-2H-indazole?
The InChIKey is KFAVYARSLJBYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c1-2-4-10-9(3-1)11(16-15-10)7-12-14-13(18-17-12)8-5-6-8/h1-4,8H,5-7H2,(H,15,16)(H,14,17,18).
What are the key properties of 3-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-2H-indazole?
3-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-2H-indazole has a molecular weight of 239.28 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-2H-indazole is sourced from PubChem (CID 50972633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).