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

C17H15N5OS — CID 71187309

IUPAC[4-[4-amino-7-(2-methyl-1,3-thiazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]methanol
SMILESCc1nc(-c2cc(-c3ccc(CO)cc3)c3c(N)ncnn23)cs1
InChIInChI=1S/C17H15N5OS/c1-10-21-14(8-24-10)15-6-13(12-4-2-11(7-23)3-5-12)16-17(18)19-9-20-22(15)16/h2-6,8-9,23H,7H2,1H3,(H2,18,19,20)
InChIKeyIFBNNIZZKITMMY-UHFFFAOYSA-N
MW337.41 g/mol
LogP2.90
Rot. Bonds3

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

[4-[4-amino-7-(2-methyl-1,3-thiazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]methanol (PubChem CID 71187309) has the molecular formula C17H15N5OS and a molecular weight of 337.41 g/mol. Its IUPAC name is [4-[4-amino-7-(2-methyl-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-methyl-1,3-thiazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]methanol
PubChem CID71187309
Molecular FormulaC17H15N5OS
Molecular Weight337.41 g/mol
Exact Mass337.10
IUPAC Name[4-[4-amino-7-(2-methyl-1,3-thiazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]methanol
SMILESCc1nc(-c2cc(-c3ccc(CO)cc3)c3c(N)ncnn23)cs1
InChIInChI=1S/C17H15N5OS/c1-10-21-14(8-24-10)15-6-13(12-4-2-11(7-23)3-5-12)16-17(18)19-9-20-22(15)16/h2-6,8-9,23H,7H2,1H3,(H2,18,19,20)
InChIKeyIFBNNIZZKITMMY-UHFFFAOYSA-N
XLogP2.90
TPSA89.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 52.90
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-methyl-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-methyl-1,3-thiazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]methanol (CID 71187309) is [4-[4-amino-7-(2-methyl-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-methyl-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-methyl-1,3-thiazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]methanol is Cc1nc(-c2cc(-c3ccc(CO)cc3)c3c(N)ncnn23)cs1.
What is the InChIKey of [4-[4-amino-7-(2-methyl-1,3-thiazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]methanol?
The InChIKey is IFBNNIZZKITMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5OS/c1-10-21-14(8-24-10)15-6-13(12-4-2-11(7-23)3-5-12)16-17(18)19-9-20-22(15)16/h2-6,8-9,23H,7H2,1H3,(H2,18,19,20).
What are the key properties of [4-[4-amino-7-(2-methyl-1,3-thiazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]methanol?
[4-[4-amino-7-(2-methyl-1,3-thiazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]methanol has a molecular weight of 337.41 g/mol, XLogP of 2.90, 3 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-methyl-1,3-thiazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]methanol is sourced from PubChem (CID 71187309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).