N-(3-fluoro-4-pyridinyl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine

C15H8F4N6S — CID 135262377

IUPACN-(3-fluoro-4-pyridinyl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESFc1cnccc1Nc1nc(-c2nc(C(F)(F)F)cs2)nn2cccc12
InChIInChI=1S/C15H8F4N6S/c16-8-6-20-4-3-9(8)21-12-10-2-1-5-25(10)24-13(23-12)14-22-11(7-26-14)15(17,18)19/h1-7H,(H,20,21,23,24)
InChIKeyAWBDMVXDPKNREO-UHFFFAOYSA-N
MW380.33 g/mol
LogP4.15
Rot. Bonds3

About N-(3-fluoro-4-pyridinyl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine

N-(3-fluoro-4-pyridinyl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 135262377) has the molecular formula C15H8F4N6S and a molecular weight of 380.33 g/mol. Its IUPAC name is N-(3-fluoro-4-pyridinyl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound NameN-(3-fluoro-4-pyridinyl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID135262377
Molecular FormulaC15H8F4N6S
Molecular Weight380.33 g/mol
Exact Mass380.05
IUPAC NameN-(3-fluoro-4-pyridinyl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESFc1cnccc1Nc1nc(-c2nc(C(F)(F)F)cs2)nn2cccc12
InChIInChI=1S/C15H8F4N6S/c16-8-6-20-4-3-9(8)21-12-10-2-1-5-25(10)24-13(23-12)14-22-11(7-26-14)15(17,18)19/h1-7H,(H,20,21,23,24)
InChIKeyAWBDMVXDPKNREO-UHFFFAOYSA-N
XLogP4.15
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.33
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-pyridinyl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of N-(3-fluoro-4-pyridinyl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 135262377) is N-(3-fluoro-4-pyridinyl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for N-(3-fluoro-4-pyridinyl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for N-(3-fluoro-4-pyridinyl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine is Fc1cnccc1Nc1nc(-c2nc(C(F)(F)F)cs2)nn2cccc12.
What is the InChIKey of N-(3-fluoro-4-pyridinyl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is AWBDMVXDPKNREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F4N6S/c16-8-6-20-4-3-9(8)21-12-10-2-1-5-25(10)24-13(23-12)14-22-11(7-26-14)15(17,18)19/h1-7H,(H,20,21,23,24).
What are the key properties of N-(3-fluoro-4-pyridinyl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
N-(3-fluoro-4-pyridinyl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 380.33 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-pyridinyl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 135262377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).