3-[(4-fluoro-2-methyl-1H-indol-5-yl)oxymethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine

C16H17FN4O — CID 129479595

IUPAC3-[(4-fluoro-2-methyl-1H-indol-5-yl)oxymethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1cc2c(F)c(OCc3nnc4n3CCCC4)ccc2[nH]1
InChIInChI=1S/C16H17FN4O/c1-10-8-11-12(18-10)5-6-13(16(11)17)22-9-15-20-19-14-4-2-3-7-21(14)15/h5-6,8,18H,2-4,7,9H2,1H3
InChIKeyVOGYDPNZILIIHF-UHFFFAOYSA-N
MW300.34 g/mol
LogP3.12
Rot. Bonds3

About 3-[(4-fluoro-2-methyl-1H-indol-5-yl)oxymethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine

3-[(4-fluoro-2-methyl-1H-indol-5-yl)oxymethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 129479595) has the molecular formula C16H17FN4O and a molecular weight of 300.34 g/mol. Its IUPAC name is 3-[(4-fluoro-2-methyl-1H-indol-5-yl)oxymethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-[(4-fluoro-2-methyl-1H-indol-5-yl)oxymethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID129479595
Molecular FormulaC16H17FN4O
Molecular Weight300.34 g/mol
Exact Mass300.14
IUPAC Name3-[(4-fluoro-2-methyl-1H-indol-5-yl)oxymethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1cc2c(F)c(OCc3nnc4n3CCCC4)ccc2[nH]1
InChIInChI=1S/C16H17FN4O/c1-10-8-11-12(18-10)5-6-13(16(11)17)22-9-15-20-19-14-4-2-3-7-21(14)15/h5-6,8,18H,2-4,7,9H2,1H3
InChIKeyVOGYDPNZILIIHF-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-tert-butylphenoxy)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 107078778
4-fluoro-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)aniline
CID 107076335
4-methyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)benzoic acid
CID 107076427
[3,5-dimethyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenyl]methanamine
CID 107076318
5-bromo-4-fluoro-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)aniline
CID 107076412
[5-chloro-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenyl]methanol
CID 107078064
1-[5-bromo-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenyl]ethanamine
CID 107076656
2-fluoro-6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)benzonitrile
CID 103849655
1-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenyl]ethanamine
CID 107076518
3-[(4-ethylphenoxy)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 7566122
3-bromo-5-fluoro-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)aniline
CID 107076351
[4-chloro-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenyl]methanamine
CID 107076325

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluoro-2-methyl-1H-indol-5-yl)oxymethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-[(4-fluoro-2-methyl-1H-indol-5-yl)oxymethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (CID 129479595) is 3-[(4-fluoro-2-methyl-1H-indol-5-yl)oxymethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-[(4-fluoro-2-methyl-1H-indol-5-yl)oxymethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-[(4-fluoro-2-methyl-1H-indol-5-yl)oxymethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is Cc1cc2c(F)c(OCc3nnc4n3CCCC4)ccc2[nH]1.
What is the InChIKey of 3-[(4-fluoro-2-methyl-1H-indol-5-yl)oxymethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is VOGYDPNZILIIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O/c1-10-8-11-12(18-10)5-6-13(16(11)17)22-9-15-20-19-14-4-2-3-7-21(14)15/h5-6,8,18H,2-4,7,9H2,1H3.
What are the key properties of 3-[(4-fluoro-2-methyl-1H-indol-5-yl)oxymethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
3-[(4-fluoro-2-methyl-1H-indol-5-yl)oxymethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 300.34 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluoro-2-methyl-1H-indol-5-yl)oxymethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 129479595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).