4-fluoro-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]indole

C14H15FN4 — CID 82795063

IUPAC4-fluoro-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]indole
SMILESCCCn1ncnc1Cn1ccc2c(F)cccc21
InChIInChI=1S/C14H15FN4/c1-2-7-19-14(16-10-17-19)9-18-8-6-11-12(15)4-3-5-13(11)18/h3-6,8,10H,2,7,9H2,1H3
InChIKeyPZZDFAXQIOSZLK-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.83
Rot. Bonds4

About 4-fluoro-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]indole

4-fluoro-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]indole (PubChem CID 82795063) has the molecular formula C14H15FN4 and a molecular weight of 258.30 g/mol. Its IUPAC name is 4-fluoro-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]indole.

Molecular Properties

Compound Name4-fluoro-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]indole
PubChem CID82795063
Molecular FormulaC14H15FN4
Molecular Weight258.30 g/mol
Exact Mass258.13
IUPAC Name4-fluoro-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]indole
SMILESCCCn1ncnc1Cn1ccc2c(F)cccc21
InChIInChI=1S/C14H15FN4/c1-2-7-19-14(16-10-17-19)9-18-8-6-11-12(15)4-3-5-13(11)18/h3-6,8,10H,2,7,9H2,1H3
InChIKeyPZZDFAXQIOSZLK-UHFFFAOYSA-N
XLogP2.83
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-nitro-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]indole
CID 116623428
1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-propoxyindole
CID 83166124
[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]indol-3-yl]methanol
CID 66398883
4-chloro-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]indole
CID 116623800
1-[(4-ethylphenyl)methyl]-4-fluoroindole
CID 82792470
1-[(2-propyl-1,2,4-triazol-3-yl)methyl]pyrimidin-2-one
CID 116618362
4-fluoro-1-(2-pyrazol-1-ylethyl)indole
CID 82794921
N-[2-(4-fluoroindol-1-yl)ethyl]butan-1-amine
CID 82791993
1-[(2-methyl-1,2,4-triazol-3-yl)methyl]indole-4-carbonitrile
CID 114015832
1-(2,3-difluorophenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 105003143
3-(4-fluoroindol-1-yl)-N-propylpropan-1-amine
CID 82791789
N-[2-(4-fluoroindol-1-yl)ethyl]-3-methylbutan-2-amine
CID 82793034

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]indole?
The IUPAC name of 4-fluoro-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]indole (CID 82795063) is 4-fluoro-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]indole.
What is the SMILES notation for 4-fluoro-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]indole?
The canonical SMILES for 4-fluoro-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]indole is CCCn1ncnc1Cn1ccc2c(F)cccc21.
What is the InChIKey of 4-fluoro-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]indole?
The InChIKey is PZZDFAXQIOSZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4/c1-2-7-19-14(16-10-17-19)9-18-8-6-11-12(15)4-3-5-13(11)18/h3-6,8,10H,2,7,9H2,1H3.
What are the key properties of 4-fluoro-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]indole?
4-fluoro-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]indole has a molecular weight of 258.30 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]indole is sourced from PubChem (CID 82795063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).