5-[1-[(3-methylphenyl)methyl]triazol-4-yl]-1H-indazole

C17H15N5 — CID 25166053

IUPAC5-[1-[(3-methylphenyl)methyl]triazol-4-yl]-1H-indazole
SMILESCc1cccc(Cn2cc(-c3ccc4[nH]ncc4c3)nn2)c1
InChIInChI=1S/C17H15N5/c1-12-3-2-4-13(7-12)10-22-11-17(20-21-22)14-5-6-16-15(8-14)9-18-19-16/h2-9,11H,10H2,1H3,(H,18,19)
InChIKeyAZRBHUUEXRGWFH-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.18
Rot. Bonds3

About 5-[1-[(3-methylphenyl)methyl]triazol-4-yl]-1H-indazole

5-[1-[(3-methylphenyl)methyl]triazol-4-yl]-1H-indazole (PubChem CID 25166053) has the molecular formula C17H15N5 and a molecular weight of 289.34 g/mol. Its IUPAC name is 5-[1-[(3-methylphenyl)methyl]triazol-4-yl]-1H-indazole.

Molecular Properties

Compound Name5-[1-[(3-methylphenyl)methyl]triazol-4-yl]-1H-indazole
PubChem CID25166053
Molecular FormulaC17H15N5
Molecular Weight289.34 g/mol
Exact Mass289.13
IUPAC Name5-[1-[(3-methylphenyl)methyl]triazol-4-yl]-1H-indazole
SMILESCc1cccc(Cn2cc(-c3ccc4[nH]ncc4c3)nn2)c1
InChIInChI=1S/C17H15N5/c1-12-3-2-4-13(7-12)10-22-11-17(20-21-22)14-5-6-16-15(8-14)9-18-19-16/h2-9,11H,10H2,1H3,(H,18,19)
InChIKeyAZRBHUUEXRGWFH-UHFFFAOYSA-N
XLogP3.18
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[1-[(3-methylphenyl)methyl]triazol-4-yl]-1H-indazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-pyridin-4-yl-1H-indazole
CID 12412578
2,4,5,10-Tetrahydropyrazolo[3,4-a]carbazole
CID 645436
3-Methyl-5-(Pyridin-3-Yl)-2h-Pyrazolo[3,4-C]pyridine
CID 71254055
3-[5-(Piperidin-1-ylmethyl)-1h-indol-2-yl]-6-(1h-1,2,3-triazol-1-yl)-1h-indazole
CID 135559064
3-[5-(Piperidin-1-ylmethyl)-1h-indol-2-yl]-6-(2h-1,2,3-triazol-2-yl)-1h-indazole
CID 135559067
5-(3-benzylpyrrolidin-3-yl)-1H-indazole
CID 44231144
5-(1-methylpyrazol-4-yl)-3-(6-piperidin-4-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 71253727
(3R)-1-[3-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]phenyl]piperidin-3-amine
CID 71254066
4-(3-methylphenyl)-1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]triazole
CID 152058632
5-fluoro-3-[3-[4-[4-fluoro-2-(1H-pyrazol-4-yl)phenyl]piperazin-1-yl]propyl]-1H-indole
CID 155552188
7-Methyl-1,2,4,5-tetrahydropyrazolo[3,4-a]carbazole
CID 659102
N-[(2S)-2-amino-3-phenylpropyl]-5-(3-methyl-1H-indazol-5-yl)pyridin-3-amine
CID 23647013

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(3-methylphenyl)methyl]triazol-4-yl]-1H-indazole?
The IUPAC name of 5-[1-[(3-methylphenyl)methyl]triazol-4-yl]-1H-indazole (CID 25166053) is 5-[1-[(3-methylphenyl)methyl]triazol-4-yl]-1H-indazole.
What is the SMILES notation for 5-[1-[(3-methylphenyl)methyl]triazol-4-yl]-1H-indazole?
The canonical SMILES for 5-[1-[(3-methylphenyl)methyl]triazol-4-yl]-1H-indazole is Cc1cccc(Cn2cc(-c3ccc4[nH]ncc4c3)nn2)c1.
What is the InChIKey of 5-[1-[(3-methylphenyl)methyl]triazol-4-yl]-1H-indazole?
The InChIKey is AZRBHUUEXRGWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5/c1-12-3-2-4-13(7-12)10-22-11-17(20-21-22)14-5-6-16-15(8-14)9-18-19-16/h2-9,11H,10H2,1H3,(H,18,19).
What are the key properties of 5-[1-[(3-methylphenyl)methyl]triazol-4-yl]-1H-indazole?
5-[1-[(3-methylphenyl)methyl]triazol-4-yl]-1H-indazole has a molecular weight of 289.34 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(3-methylphenyl)methyl]triazol-4-yl]-1H-indazole is sourced from PubChem (CID 25166053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).