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

C18H17N5OS — CID 90389184

IUPAC[4-[4-amino-7-(2-ethyl-1,3-thiazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]methanol
SMILESCCc1nc(-c2cc(-c3ccc(CO)cc3)c3c(N)ncnn23)cs1
InChIInChI=1S/C18H17N5OS/c1-2-16-22-14(9-25-16)15-7-13(12-5-3-11(8-24)4-6-12)17-18(19)20-10-21-23(15)17/h3-7,9-10,24H,2,8H2,1H3,(H2,19,20,21)
InChIKeyIXKTYFOMGJJJCW-UHFFFAOYSA-N
MW351.44 g/mol
LogP3.16
Rot. Bonds4

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

[4-[4-amino-7-(2-ethyl-1,3-thiazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]methanol (PubChem CID 90389184) has the molecular formula C18H17N5OS and a molecular weight of 351.44 g/mol. Its IUPAC name is [4-[4-amino-7-(2-ethyl-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-ethyl-1,3-thiazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]methanol
PubChem CID90389184
Molecular FormulaC18H17N5OS
Molecular Weight351.44 g/mol
Exact Mass351.12
IUPAC Name[4-[4-amino-7-(2-ethyl-1,3-thiazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]methanol
SMILESCCc1nc(-c2cc(-c3ccc(CO)cc3)c3c(N)ncnn23)cs1
InChIInChI=1S/C18H17N5OS/c1-2-16-22-14(9-25-16)15-7-13(12-5-3-11(8-24)4-6-12)17-18(19)20-10-21-23(15)17/h3-7,9-10,24H,2,8H2,1H3,(H2,19,20,21)
InChIKeyIXKTYFOMGJJJCW-UHFFFAOYSA-N
XLogP3.16
TPSA89.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.44
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[4-amino-7-(2-ethyl-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-ethyl-1,3-thiazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]methanol (CID 90389184) is [4-[4-amino-7-(2-ethyl-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-ethyl-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-ethyl-1,3-thiazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]methanol is CCc1nc(-c2cc(-c3ccc(CO)cc3)c3c(N)ncnn23)cs1.
What is the InChIKey of [4-[4-amino-7-(2-ethyl-1,3-thiazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]methanol?
The InChIKey is IXKTYFOMGJJJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5OS/c1-2-16-22-14(9-25-16)15-7-13(12-5-3-11(8-24)4-6-12)17-18(19)20-10-21-23(15)17/h3-7,9-10,24H,2,8H2,1H3,(H2,19,20,21).
What are the key properties of [4-[4-amino-7-(2-ethyl-1,3-thiazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]methanol?
[4-[4-amino-7-(2-ethyl-1,3-thiazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]methanol has a molecular weight of 351.44 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-amino-7-(2-ethyl-1,3-thiazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]methanol is sourced from PubChem (CID 90389184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).