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

C19H23N5O2 — CID 90389091

IUPAC[4-[4-amino-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2-methylphenyl]methanol
SMILESCc1cc(-c2cc(CN3CCOCC3)n3ncnc(N)c23)ccc1CO
InChIInChI=1S/C19H23N5O2/c1-13-8-14(2-3-15(13)11-25)17-9-16(10-23-4-6-26-7-5-23)24-18(17)19(20)21-12-22-24/h2-3,8-9,12,25H,4-7,10-11H2,1H3,(H2,20,21,22)
InChIKeyVBEWWHQIKLOZMW-UHFFFAOYSA-N
MW353.43 g/mol
LogP1.61
Rot. Bonds4

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

[4-[4-amino-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2-methylphenyl]methanol (PubChem CID 90389091) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is [4-[4-amino-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2-methylphenyl]methanol.

Molecular Properties

Compound Name[4-[4-amino-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2-methylphenyl]methanol
PubChem CID90389091
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name[4-[4-amino-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2-methylphenyl]methanol
SMILESCc1cc(-c2cc(CN3CCOCC3)n3ncnc(N)c23)ccc1CO
InChIInChI=1S/C19H23N5O2/c1-13-8-14(2-3-15(13)11-25)17-9-16(10-23-4-6-26-7-5-23)24-18(17)19(20)21-12-22-24/h2-3,8-9,12,25H,4-7,10-11H2,1H3,(H2,20,21,22)
InChIKeyVBEWWHQIKLOZMW-UHFFFAOYSA-N
XLogP1.61
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.61
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]-2-methylphenyl]methanol?
The IUPAC name of [4-[4-amino-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2-methylphenyl]methanol (CID 90389091) is [4-[4-amino-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2-methylphenyl]methanol.
What is the SMILES notation for [4-[4-amino-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2-methylphenyl]methanol?
The canonical SMILES for [4-[4-amino-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2-methylphenyl]methanol is Cc1cc(-c2cc(CN3CCOCC3)n3ncnc(N)c23)ccc1CO.
What is the InChIKey of [4-[4-amino-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2-methylphenyl]methanol?
The InChIKey is VBEWWHQIKLOZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-13-8-14(2-3-15(13)11-25)17-9-16(10-23-4-6-26-7-5-23)24-18(17)19(20)21-12-22-24/h2-3,8-9,12,25H,4-7,10-11H2,1H3,(H2,20,21,22).
What are the key properties of [4-[4-amino-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2-methylphenyl]methanol?
[4-[4-amino-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2-methylphenyl]methanol has a molecular weight of 353.43 g/mol, XLogP of 1.61, 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]-2-methylphenyl]methanol is sourced from PubChem (CID 90389091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).