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

C17H20N6O2 — CID 90389070

IUPAC[5-[4-amino-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2-pyridinyl]methanol
SMILESNc1ncnn2c(CN3CCOCC3)cc(-c3ccc(CO)nc3)c12
InChIInChI=1S/C17H20N6O2/c18-17-16-15(12-1-2-13(10-24)19-8-12)7-14(23(16)21-11-20-17)9-22-3-5-25-6-4-22/h1-2,7-8,11,24H,3-6,9-10H2,(H2,18,20,21)
InChIKeyLWMZMQWISXAVFG-UHFFFAOYSA-N
MW340.39 g/mol
LogP0.70
Rot. Bonds4

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

[5-[4-amino-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2-pyridinyl]methanol (PubChem CID 90389070) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is [5-[4-amino-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[5-[4-amino-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2-pyridinyl]methanol
PubChem CID90389070
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name[5-[4-amino-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2-pyridinyl]methanol
SMILESNc1ncnn2c(CN3CCOCC3)cc(-c3ccc(CO)nc3)c12
InChIInChI=1S/C17H20N6O2/c18-17-16-15(12-1-2-13(10-24)19-8-12)7-14(23(16)21-11-20-17)9-22-3-5-25-6-4-22/h1-2,7-8,11,24H,3-6,9-10H2,(H2,18,20,21)
InChIKeyLWMZMQWISXAVFG-UHFFFAOYSA-N
XLogP0.70
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [5-[4-amino-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2-pyridinyl]methanol?
The IUPAC name of [5-[4-amino-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2-pyridinyl]methanol (CID 90389070) is [5-[4-amino-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2-pyridinyl]methanol.
What is the SMILES notation for [5-[4-amino-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2-pyridinyl]methanol?
The canonical SMILES for [5-[4-amino-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2-pyridinyl]methanol is Nc1ncnn2c(CN3CCOCC3)cc(-c3ccc(CO)nc3)c12.
What is the InChIKey of [5-[4-amino-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2-pyridinyl]methanol?
The InChIKey is LWMZMQWISXAVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c18-17-16-15(12-1-2-13(10-24)19-8-12)7-14(23(16)21-11-20-17)9-22-3-5-25-6-4-22/h1-2,7-8,11,24H,3-6,9-10H2,(H2,18,20,21).
What are the key properties of [5-[4-amino-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2-pyridinyl]methanol?
[5-[4-amino-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2-pyridinyl]methanol has a molecular weight of 340.39 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-amino-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2-pyridinyl]methanol is sourced from PubChem (CID 90389070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).