[4-[4-amino-7-(2-amino-1,3-thiazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]methanol

C16H14N6OS — CID 71487146

IUPAC[4-[4-amino-7-(2-amino-1,3-thiazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]methanol
SMILESNc1nc(-c2cc(-c3ccc(CO)cc3)c3c(N)ncnn23)cs1
InChIInChI=1S/C16H14N6OS/c17-15-14-11(10-3-1-9(6-23)2-4-10)5-13(22(14)20-8-19-15)12-7-24-16(18)21-12/h1-5,7-8,23H,6H2,(H2,18,21)(H2,17,19,20)
InChIKeyAINRMAAGGGIKBD-UHFFFAOYSA-N
MW338.40 g/mol
LogP2.18
Rot. Bonds3

About [4-[4-amino-7-(2-amino-1,3-thiazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]methanol

[4-[4-amino-7-(2-amino-1,3-thiazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]methanol (PubChem CID 71487146) has the molecular formula C16H14N6OS and a molecular weight of 338.40 g/mol. Its IUPAC name is [4-[4-amino-7-(2-amino-1,3-thiazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[4-amino-7-(2-amino-1,3-thiazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]methanol
PubChem CID71487146
Molecular FormulaC16H14N6OS
Molecular Weight338.40 g/mol
Exact Mass338.09
IUPAC Name[4-[4-amino-7-(2-amino-1,3-thiazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]methanol
SMILESNc1nc(-c2cc(-c3ccc(CO)cc3)c3c(N)ncnn23)cs1
InChIInChI=1S/C16H14N6OS/c17-15-14-11(10-3-1-9(6-23)2-4-10)5-13(22(14)20-8-19-15)12-7-24-16(18)21-12/h1-5,7-8,23H,6H2,(H2,18,21)(H2,17,19,20)
InChIKeyAINRMAAGGGIKBD-UHFFFAOYSA-N
XLogP2.18
TPSA115.35 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

4-[4-Amino-5-[4-(hydroxymethyl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]butan-1-ol
CID 71187424
[4-[4-Amino-5-(2-cyclohexylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]methanol
CID 155527495
[4-[4-Amino-7-[2-(aminomethyl)-1,3-thiazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2,6-difluorophenyl]methanol
CID 71187087
3-[4-Amino-5-[4-(hydroxymethyl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]propan-1-ol
CID 71187111
[4-(4-Amino-7-propylpyrrolo[2,1-f][1,2,4]triazin-5-yl)phenyl]methanol
CID 71187199
[4-[4-Amino-7-(2-methyl-1,3-thiazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]methanol
CID 71187309
[4-[4-Amino-7-(2-methyl-1,3-thiazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2,6-difluorophenyl]methanol
CID 71187350
[4-[4-Amino-7-(2-ethyl-1,3-thiazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2,6-difluorophenyl]methanol
CID 90389076
[4-[4-Amino-7-(2-ethyl-1,3-thiazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]methanol
CID 90389184
[4-[6-(2-Thienylmethyl-amino) imidazo[1,2-b]pyridazin-3-yl]phenyl] methanol
CID 58857573
[4-[3-(2-Thienyl)imidazo [1,2-b]pyridazin-6-yl]phenyl] methanol
CID 126673004
[4-[3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]phenyl]methanol
CID 134807087

Frequently Asked Questions

What is the IUPAC name of [4-[4-amino-7-(2-amino-1,3-thiazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]methanol?
The IUPAC name of [4-[4-amino-7-(2-amino-1,3-thiazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]methanol (CID 71487146) is [4-[4-amino-7-(2-amino-1,3-thiazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]methanol.
What is the SMILES notation for [4-[4-amino-7-(2-amino-1,3-thiazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]methanol?
The canonical SMILES for [4-[4-amino-7-(2-amino-1,3-thiazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]methanol is Nc1nc(-c2cc(-c3ccc(CO)cc3)c3c(N)ncnn23)cs1.
What is the InChIKey of [4-[4-amino-7-(2-amino-1,3-thiazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]methanol?
The InChIKey is AINRMAAGGGIKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6OS/c17-15-14-11(10-3-1-9(6-23)2-4-10)5-13(22(14)20-8-19-15)12-7-24-16(18)21-12/h1-5,7-8,23H,6H2,(H2,18,21)(H2,17,19,20).
What are the key properties of [4-[4-amino-7-(2-amino-1,3-thiazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]methanol?
[4-[4-amino-7-(2-amino-1,3-thiazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]methanol has a molecular weight of 338.40 g/mol, XLogP of 2.18, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-amino-7-(2-amino-1,3-thiazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]methanol is sourced from PubChem (CID 71487146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).