7-[1-[1-(2-fluorophenyl)triazol-4-yl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine

C16H14FN7 — CID 134608174

IUPAC7-[1-[1-(2-fluorophenyl)triazol-4-yl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCC(c1cn(-c2ccccc2F)nn1)c1ccc2c(N)ncnn12
InChIInChI=1S/C16H14FN7/c1-10(13-6-7-15-16(18)19-9-20-24(13)15)12-8-23(22-21-12)14-5-3-2-4-11(14)17/h2-10H,1H3,(H2,18,19,20)
InChIKeyYHBSWCPBYNVTGH-UHFFFAOYSA-N
MW323.34 g/mol
LogP2.18
Rot. Bonds3

About 7-[1-[1-(2-fluorophenyl)triazol-4-yl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine

7-[1-[1-(2-fluorophenyl)triazol-4-yl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 134608174) has the molecular formula C16H14FN7 and a molecular weight of 323.34 g/mol. Its IUPAC name is 7-[1-[1-(2-fluorophenyl)triazol-4-yl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name7-[1-[1-(2-fluorophenyl)triazol-4-yl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID134608174
Molecular FormulaC16H14FN7
Molecular Weight323.34 g/mol
Exact Mass323.13
IUPAC Name7-[1-[1-(2-fluorophenyl)triazol-4-yl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCC(c1cn(-c2ccccc2F)nn1)c1ccc2c(N)ncnn12
InChIInChI=1S/C16H14FN7/c1-10(13-6-7-15-16(18)19-9-20-24(13)15)12-8-23(22-21-12)14-5-3-2-4-11(14)17/h2-10H,1H3,(H2,18,19,20)
InChIKeyYHBSWCPBYNVTGH-UHFFFAOYSA-N
XLogP2.18
TPSA86.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-bromo-7-[1-[1-(2-fluorophenyl)triazol-4-yl]propyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 134608184
1-[1-(2-fluorophenyl)triazol-4-yl]-N-methylethanamine
CID 117167487
7-[1-[1-(2,4-difluorophenyl)triazol-4-yl]ethyl]-5-[2-(trifluoromethyl)pyrimidin-5-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 134608152
5-cyclopropyl-7-[(1S)-1-[1-(2-fluorophenyl)triazol-4-yl]ethyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 134518575
1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanol
CID 90397339
7-[1-[1-(2-fluorophenyl)triazol-4-yl]propyl]-5-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 142354847
1-[5-[4-amino-7-[1-[1-(2-fluorophenyl)triazol-4-yl]ethyl]pyrrolo[2,3-d]pyrimidin-5-yl]thiophen-2-yl]ethanone
CID 154023733
7-[(1R)-1-[1-(2-fluorophenyl)triazol-4-yl]propyl]-5-(1H-pyrazol-5-yl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 134518679
4-[ethoxy(methoxy)methyl]-1-(2-fluorophenyl)triazole
CID 143435113
4-chloro-7-[1-[1-(2-fluorophenyl)triazol-4-yl]ethyl]-5-iodopyrrolo[2,3-d]pyrimidine
CID 134518737
5-[6-(difluoromethoxy)-3-pyridinyl]-7-[(1S)-1-[1-(2-fluorophenyl)triazol-4-yl]propyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 134518645
4-(1-chloroethyl)-1-(2,6-difluorophenyl)triazole
CID 81449243

Frequently Asked Questions

What is the IUPAC name of 7-[1-[1-(2-fluorophenyl)triazol-4-yl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 7-[1-[1-(2-fluorophenyl)triazol-4-yl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 134608174) is 7-[1-[1-(2-fluorophenyl)triazol-4-yl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 7-[1-[1-(2-fluorophenyl)triazol-4-yl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 7-[1-[1-(2-fluorophenyl)triazol-4-yl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine is CC(c1cn(-c2ccccc2F)nn1)c1ccc2c(N)ncnn12.
What is the InChIKey of 7-[1-[1-(2-fluorophenyl)triazol-4-yl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is YHBSWCPBYNVTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN7/c1-10(13-6-7-15-16(18)19-9-20-24(13)15)12-8-23(22-21-12)14-5-3-2-4-11(14)17/h2-10H,1H3,(H2,18,19,20).
What are the key properties of 7-[1-[1-(2-fluorophenyl)triazol-4-yl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
7-[1-[1-(2-fluorophenyl)triazol-4-yl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 323.34 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-[1-(2-fluorophenyl)triazol-4-yl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 134608174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).