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

C18H21N5O2 — CID 90389028

IUPAC[4-[4-amino-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]methanol
SMILESNc1ncnn2c(CN3CCOCC3)cc(-c3ccc(CO)cc3)c12
InChIInChI=1S/C18H21N5O2/c19-18-17-16(14-3-1-13(11-24)2-4-14)9-15(23(17)21-12-20-18)10-22-5-7-25-8-6-22/h1-4,9,12,24H,5-8,10-11H2,(H2,19,20,21)
InChIKeyGFPNHNZUEXUZSR-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.30
Rot. Bonds4

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

[4-[4-amino-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]methanol (PubChem CID 90389028) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is [4-[4-amino-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[4-amino-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]methanol
PubChem CID90389028
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name[4-[4-amino-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]methanol
SMILESNc1ncnn2c(CN3CCOCC3)cc(-c3ccc(CO)cc3)c12
InChIInChI=1S/C18H21N5O2/c19-18-17-16(14-3-1-13(11-24)2-4-14)9-15(23(17)21-12-20-18)10-22-5-7-25-8-6-22/h1-4,9,12,24H,5-8,10-11H2,(H2,19,20,21)
InChIKeyGFPNHNZUEXUZSR-UHFFFAOYSA-N
XLogP1.30
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.30
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-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]methanol?
The IUPAC name of [4-[4-amino-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]methanol (CID 90389028) is [4-[4-amino-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]methanol.
What is the SMILES notation for [4-[4-amino-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]methanol?
The canonical SMILES for [4-[4-amino-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]methanol is Nc1ncnn2c(CN3CCOCC3)cc(-c3ccc(CO)cc3)c12.
What is the InChIKey of [4-[4-amino-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]methanol?
The InChIKey is GFPNHNZUEXUZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c19-18-17-16(14-3-1-13(11-24)2-4-14)9-15(23(17)21-12-20-18)10-22-5-7-25-8-6-22/h1-4,9,12,24H,5-8,10-11H2,(H2,19,20,21).
What are the key properties of [4-[4-amino-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]methanol?
[4-[4-amino-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]methanol has a molecular weight of 339.40 g/mol, XLogP of 1.30, 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-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]methanol is sourced from PubChem (CID 90389028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).