6-fluoro-3-[5-methyl-2-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]-1H-indole

C16H17FN4O — CID 167864021

IUPAC6-fluoro-3-[5-methyl-2-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]-1H-indole
SMILESCc1nc(-c2c[nH]c3cc(F)ccc23)n(CC2CCCO2)n1
InChIInChI=1S/C16H17FN4O/c1-10-19-16(21(20-10)9-12-3-2-6-22-12)14-8-18-15-7-11(17)4-5-13(14)15/h4-5,7-8,12,18H,2-3,6,9H2,1H3
InChIKeyMFJJPFDHAYRCJA-UHFFFAOYSA-N
MW300.34 g/mol
LogP3.05
Rot. Bonds3

About 6-fluoro-3-[5-methyl-2-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]-1H-indole

6-fluoro-3-[5-methyl-2-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]-1H-indole (PubChem CID 167864021) has the molecular formula C16H17FN4O and a molecular weight of 300.34 g/mol. Its IUPAC name is 6-fluoro-3-[5-methyl-2-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]-1H-indole.

Molecular Properties

Compound Name6-fluoro-3-[5-methyl-2-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]-1H-indole
PubChem CID167864021
Molecular FormulaC16H17FN4O
Molecular Weight300.34 g/mol
Exact Mass300.14
IUPAC Name6-fluoro-3-[5-methyl-2-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]-1H-indole
SMILESCc1nc(-c2c[nH]c3cc(F)ccc23)n(CC2CCCO2)n1
InChIInChI=1S/C16H17FN4O/c1-10-19-16(21(20-10)9-12-3-2-6-22-12)14-8-18-15-7-11(17)4-5-13(14)15/h4-5,7-8,12,18H,2-3,6,9H2,1H3
InChIKeyMFJJPFDHAYRCJA-UHFFFAOYSA-N
XLogP3.05
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-fluoro-3-[5-methyl-2-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]-1H-indole with MolForge

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Related Compounds

6-fluoro-3-[5-methyl-2-(thian-4-yl)-1,2,4-triazol-3-yl]-1H-indole
CID 167975107
1-(6-fluoro-1H-indol-3-yl)-3-(oxolan-2-yl)propan-1-one
CID 65154926
2-(6-fluoro-1H-indol-3-yl)-N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]acetamide
CID 95597083
6-chloro-3-[5-methyl-2-(oxan-3-yl)-1,2,4-triazol-3-yl]-1H-indole
CID 167832231
(2S)-1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]propan-1-one
CID 52532061
6-fluoro-3-[5-methyl-1-(piperidin-4-ylmethyl)pyrazol-4-yl]-1H-indole
CID 118060606
5-methyl-1-[[(2R)-oxolan-2-yl]methyl]pyrazol-3-amine
CID 165471860
6-fluoro-3-(oxolan-2-ylmethyl)-1H-benzimidazol-2-one
CID 110491161
5-[[5-(1H-indol-3-yl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-3-methyl-1,2,4-thiadiazole
CID 137272315
N-(3-fluorophenyl)-2-[[5-(1H-indol-3-yl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 137279547
7-fluoro-2-methyl-N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]quinoline-4-carboxamide
CID 96575727
3-[4-[[(2R)-oxolan-2-yl]methyl]-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl]-1H-indole
CID 135925861

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[5-methyl-2-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]-1H-indole?
The IUPAC name of 6-fluoro-3-[5-methyl-2-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]-1H-indole (CID 167864021) is 6-fluoro-3-[5-methyl-2-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]-1H-indole.
What is the SMILES notation for 6-fluoro-3-[5-methyl-2-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]-1H-indole?
The canonical SMILES for 6-fluoro-3-[5-methyl-2-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]-1H-indole is Cc1nc(-c2c[nH]c3cc(F)ccc23)n(CC2CCCO2)n1.
What is the InChIKey of 6-fluoro-3-[5-methyl-2-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]-1H-indole?
The InChIKey is MFJJPFDHAYRCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O/c1-10-19-16(21(20-10)9-12-3-2-6-22-12)14-8-18-15-7-11(17)4-5-13(14)15/h4-5,7-8,12,18H,2-3,6,9H2,1H3.
What are the key properties of 6-fluoro-3-[5-methyl-2-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]-1H-indole?
6-fluoro-3-[5-methyl-2-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]-1H-indole has a molecular weight of 300.34 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[5-methyl-2-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]-1H-indole is sourced from PubChem (CID 167864021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).