1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]ethanol

C14H22N6O2 — CID 58529598

IUPAC1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]ethanol
SMILESCN1CCN(CC(O)c2ccc3c(N)ncnn23)C(CO)C1
InChIInChI=1S/C14H22N6O2/c1-18-4-5-19(10(6-18)8-21)7-13(22)11-2-3-12-14(15)16-9-17-20(11)12/h2-3,9-10,13,21-22H,4-8H2,1H3,(H2,15,16,17)
InChIKeyUFQNDGVAQRDMOE-UHFFFAOYSA-N
MW306.37 g/mol
LogP-1.05
Rot. Bonds4

About 1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]ethanol

1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]ethanol (PubChem CID 58529598) has the molecular formula C14H22N6O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]ethanol.

Molecular Properties

Compound Name1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]ethanol
PubChem CID58529598
Molecular FormulaC14H22N6O2
Molecular Weight306.37 g/mol
Exact Mass306.18
IUPAC Name1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]ethanol
SMILESCN1CCN(CC(O)c2ccc3c(N)ncnn23)C(CO)C1
InChIInChI=1S/C14H22N6O2/c1-18-4-5-19(10(6-18)8-21)7-13(22)11-2-3-12-14(15)16-9-17-20(11)12/h2-3,9-10,13,21-22H,4-8H2,1H3,(H2,15,16,17)
InChIKeyUFQNDGVAQRDMOE-UHFFFAOYSA-N
XLogP-1.05
TPSA103.15 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 5-1.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]ethanol?
The IUPAC name of 1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]ethanol (CID 58529598) is 1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]ethanol.
What is the SMILES notation for 1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]ethanol?
The canonical SMILES for 1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]ethanol is CN1CCN(CC(O)c2ccc3c(N)ncnn23)C(CO)C1.
What is the InChIKey of 1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]ethanol?
The InChIKey is UFQNDGVAQRDMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O2/c1-18-4-5-19(10(6-18)8-21)7-13(22)11-2-3-12-14(15)16-9-17-20(11)12/h2-3,9-10,13,21-22H,4-8H2,1H3,(H2,15,16,17).
What are the key properties of 1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]ethanol?
1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]ethanol has a molecular weight of 306.37 g/mol, XLogP of -1.05, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]ethanol is sourced from PubChem (CID 58529598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).