1-[(5-cyclopropyl-1-methylindol-2-yl)methyl]triazole-4-carboxylic acid

C16H16N4O2 — CID 139487885

IUPAC1-[(5-cyclopropyl-1-methylindol-2-yl)methyl]triazole-4-carboxylic acid
SMILESCn1c(Cn2cc(C(=O)O)nn2)cc2cc(C3CC3)ccc21
InChIInChI=1S/C16H16N4O2/c1-19-13(8-20-9-14(16(21)22)17-18-20)7-12-6-11(10-2-3-10)4-5-15(12)19/h4-7,9-10H,2-3,8H2,1H3,(H,21,22)
InChIKeyYGFDBGIWEQPEIZ-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.39
Rot. Bonds4

About 1-[(5-cyclopropyl-1-methylindol-2-yl)methyl]triazole-4-carboxylic acid

1-[(5-cyclopropyl-1-methylindol-2-yl)methyl]triazole-4-carboxylic acid (PubChem CID 139487885) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 1-[(5-cyclopropyl-1-methylindol-2-yl)methyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[(5-cyclopropyl-1-methylindol-2-yl)methyl]triazole-4-carboxylic acid
PubChem CID139487885
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name1-[(5-cyclopropyl-1-methylindol-2-yl)methyl]triazole-4-carboxylic acid
SMILESCn1c(Cn2cc(C(=O)O)nn2)cc2cc(C3CC3)ccc21
InChIInChI=1S/C16H16N4O2/c1-19-13(8-20-9-14(16(21)22)17-18-20)7-12-6-11(10-2-3-10)4-5-15(12)19/h4-7,9-10H,2-3,8H2,1H3,(H,21,22)
InChIKeyYGFDBGIWEQPEIZ-UHFFFAOYSA-N
XLogP2.39
TPSA72.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid
CID 139487588
ethyl 1-[(6-cyclopropyl-1-benzothiophen-2-yl)methyl]triazole-4-carboxylate
CID 139487294
lithium;2-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-5-cyclopropylindol-1-yl]acetic acid;methyl 2-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-5-cyclopropylindol-1-yl]acetate;hydroxide;hydrate
CID 157480407
1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]triazole-4-carboxylic acid
CID 62061064
1-[2-[cyclopentyl(methyl)amino]ethyl]triazole-4-carboxylic acid
CID 43267317
1-[[6-cyclopropyl-8-(1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid
CID 139487497
2-(azepan-1-ylmethyl)-1-methylindole-5-carboxylic acid
CID 117176936
1-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide
CID 175752949
1-[(3-ethylimidazol-4-yl)methyl]triazole-4-carboxylic acid
CID 66155319
1-[[6-cyclopropyl-8-[hydroxy-[3-(hydroxymethyl)oxetan-3-yl]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid
CID 139487396
2-(aminomethyl)-1-methylindole-5-carboxylic acid
CID 83832423
1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]triazole-4-carboxylic acid
CID 62059594

Frequently Asked Questions

What is the IUPAC name of 1-[(5-cyclopropyl-1-methylindol-2-yl)methyl]triazole-4-carboxylic acid?
The IUPAC name of 1-[(5-cyclopropyl-1-methylindol-2-yl)methyl]triazole-4-carboxylic acid (CID 139487885) is 1-[(5-cyclopropyl-1-methylindol-2-yl)methyl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[(5-cyclopropyl-1-methylindol-2-yl)methyl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[(5-cyclopropyl-1-methylindol-2-yl)methyl]triazole-4-carboxylic acid is Cn1c(Cn2cc(C(=O)O)nn2)cc2cc(C3CC3)ccc21.
What is the InChIKey of 1-[(5-cyclopropyl-1-methylindol-2-yl)methyl]triazole-4-carboxylic acid?
The InChIKey is YGFDBGIWEQPEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-19-13(8-20-9-14(16(21)22)17-18-20)7-12-6-11(10-2-3-10)4-5-15(12)19/h4-7,9-10H,2-3,8H2,1H3,(H,21,22).
What are the key properties of 1-[(5-cyclopropyl-1-methylindol-2-yl)methyl]triazole-4-carboxylic acid?
1-[(5-cyclopropyl-1-methylindol-2-yl)methyl]triazole-4-carboxylic acid has a molecular weight of 296.33 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-cyclopropyl-1-methylindol-2-yl)methyl]triazole-4-carboxylic acid is sourced from PubChem (CID 139487885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).