3-[[4-(2,5-dimethylpyrazol-3-yl)-1,2,4-triazol-3-yl]methyl]-1H-indole

C16H16N6 — CID 56712137

IUPAC3-[[4-(2,5-dimethylpyrazol-3-yl)-1,2,4-triazol-3-yl]methyl]-1H-indole
SMILESCc1cc(-n2cnnc2Cc2c[nH]c3ccccc23)n(C)n1
InChIInChI=1S/C16H16N6/c1-11-7-16(21(2)20-11)22-10-18-19-15(22)8-12-9-17-14-6-4-3-5-13(12)14/h3-7,9-10,17H,8H2,1-2H3
InChIKeyPKOZSQMQQVJVJS-UHFFFAOYSA-N
MW292.35 g/mol
LogP2.38
Rot. Bonds3

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

3-[[4-(2,5-dimethylpyrazol-3-yl)-1,2,4-triazol-3-yl]methyl]-1H-indole (PubChem CID 56712137) has the molecular formula C16H16N6 and a molecular weight of 292.35 g/mol. Its IUPAC name is 3-[[4-(2,5-dimethylpyrazol-3-yl)-1,2,4-triazol-3-yl]methyl]-1H-indole.

Molecular Properties

Compound Name3-[[4-(2,5-dimethylpyrazol-3-yl)-1,2,4-triazol-3-yl]methyl]-1H-indole
PubChem CID56712137
Molecular FormulaC16H16N6
Molecular Weight292.35 g/mol
Exact Mass292.14
IUPAC Name3-[[4-(2,5-dimethylpyrazol-3-yl)-1,2,4-triazol-3-yl]methyl]-1H-indole
SMILESCc1cc(-n2cnnc2Cc2c[nH]c3ccccc23)n(C)n1
InChIInChI=1S/C16H16N6/c1-11-7-16(21(2)20-11)22-10-18-19-15(22)8-12-9-17-14-6-4-3-5-13(12)14/h3-7,9-10,17H,8H2,1-2H3
InChIKeyPKOZSQMQQVJVJS-UHFFFAOYSA-N
XLogP2.38
TPSA64.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]-1H-indole
CID 141167256
3-(1H-indol-3-ylmethyl)-4-methyl-1H-1,2,4-triazol-5-one
CID 86272985
3-[2-[4-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]-1H-indole
CID 141222619
(1R)-2-(1H-indol-3-yl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104911668
3-[(4-methyl-2-pyridinyl)methyl]-1H-indole
CID 23967759
1-(3,5-dimethylpyrazol-1-yl)-3-(1H-indol-3-yl)propan-1-one
CID 3821483
1-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-[(4-phenyl-1,2,4-triazol-3-yl)methyl]guanidine;hydroiodide
CID 110996704
3-(1H-indol-3-ylmethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 138378454
3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-indole
CID 684975
[5-(1H-indol-3-ylmethyl)-1-propyltriazol-4-yl]methanol
CID 82204977
3-(3,5-dimethylpyrazol-1-yl)-1H-indole
CID 3573300
3-[(1-methyl-2,3-dihydropyrrol-5-yl)methyl]-1H-indole
CID 141342314

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2,5-dimethylpyrazol-3-yl)-1,2,4-triazol-3-yl]methyl]-1H-indole?
The IUPAC name of 3-[[4-(2,5-dimethylpyrazol-3-yl)-1,2,4-triazol-3-yl]methyl]-1H-indole (CID 56712137) is 3-[[4-(2,5-dimethylpyrazol-3-yl)-1,2,4-triazol-3-yl]methyl]-1H-indole.
What is the SMILES notation for 3-[[4-(2,5-dimethylpyrazol-3-yl)-1,2,4-triazol-3-yl]methyl]-1H-indole?
The canonical SMILES for 3-[[4-(2,5-dimethylpyrazol-3-yl)-1,2,4-triazol-3-yl]methyl]-1H-indole is Cc1cc(-n2cnnc2Cc2c[nH]c3ccccc23)n(C)n1.
What is the InChIKey of 3-[[4-(2,5-dimethylpyrazol-3-yl)-1,2,4-triazol-3-yl]methyl]-1H-indole?
The InChIKey is PKOZSQMQQVJVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6/c1-11-7-16(21(2)20-11)22-10-18-19-15(22)8-12-9-17-14-6-4-3-5-13(12)14/h3-7,9-10,17H,8H2,1-2H3.
What are the key properties of 3-[[4-(2,5-dimethylpyrazol-3-yl)-1,2,4-triazol-3-yl]methyl]-1H-indole?
3-[[4-(2,5-dimethylpyrazol-3-yl)-1,2,4-triazol-3-yl]methyl]-1H-indole has a molecular weight of 292.35 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2,5-dimethylpyrazol-3-yl)-1,2,4-triazol-3-yl]methyl]-1H-indole is sourced from PubChem (CID 56712137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).