6-(4-amino-1,2-dihydroxybutyl)-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one

C10H14N4O3 — CID 171881501

IUPAC6-(4-amino-1,2-dihydroxybutyl)-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESNCCC(O)C(O)c1cc2c(=O)[nH]cnn2c1
InChIInChI=1S/C10H14N4O3/c11-2-1-8(15)9(16)6-3-7-10(17)12-5-13-14(7)4-6/h3-5,8-9,15-16H,1-2,11H2,(H,12,13,17)
InChIKeyWEFLZMAHVLNUOX-UHFFFAOYSA-N
MW238.25 g/mol
LogP-1.23
Rot. Bonds4

About 6-(4-amino-1,2-dihydroxybutyl)-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one

6-(4-amino-1,2-dihydroxybutyl)-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one (PubChem CID 171881501) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is 6-(4-amino-1,2-dihydroxybutyl)-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name6-(4-amino-1,2-dihydroxybutyl)-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
PubChem CID171881501
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Name6-(4-amino-1,2-dihydroxybutyl)-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESNCCC(O)C(O)c1cc2c(=O)[nH]cnn2c1
InChIInChI=1S/C10H14N4O3/c11-2-1-8(15)9(16)6-3-7-10(17)12-5-13-14(7)4-6/h3-5,8-9,15-16H,1-2,11H2,(H,12,13,17)
InChIKeyWEFLZMAHVLNUOX-UHFFFAOYSA-N
XLogP-1.23
TPSA116.64 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 5-1.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-dihydroxy-4-(4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-6-yl)butanoic acid
CID 171877919
5-(4-amino-1,2-dihydroxybutyl)-1H-pyrimidin-6-one
CID 171880720
6-ethyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 174366236
5-(4-amino-1,2-dihydroxybutyl)-3-methyl-1H-pyridin-2-one
CID 171881026
4-amino-1-(1-methylpyrazol-4-yl)butane-1,2-diol
CID 171880658
4-amino-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)butane-1,2-diol
CID 171881415
3-(4-amino-1,2-dihydroxybutyl)-5-fluorobenzaldehyde
CID 171881176
4-amino-1-(3-amino-5-chlorophenyl)butane-1,2-diol
CID 171880952
4-amino-1-(4-bromophenyl)butane-1,2-diol
CID 171882308
4-amino-1-(6-nitro-3-pyridinyl)butane-1,2-diol
CID 171881245
4-amino-1-(1H-indazol-6-yl)butane-1,2-diol
CID 171881419
4-amino-1-(9H-carbazol-3-yl)butane-1,2-diol
CID 171882250

Frequently Asked Questions

What is the IUPAC name of 6-(4-amino-1,2-dihydroxybutyl)-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The IUPAC name of 6-(4-amino-1,2-dihydroxybutyl)-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one (CID 171881501) is 6-(4-amino-1,2-dihydroxybutyl)-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 6-(4-amino-1,2-dihydroxybutyl)-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 6-(4-amino-1,2-dihydroxybutyl)-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one is NCCC(O)C(O)c1cc2c(=O)[nH]cnn2c1.
What is the InChIKey of 6-(4-amino-1,2-dihydroxybutyl)-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The InChIKey is WEFLZMAHVLNUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c11-2-1-8(15)9(16)6-3-7-10(17)12-5-13-14(7)4-6/h3-5,8-9,15-16H,1-2,11H2,(H,12,13,17).
What are the key properties of 6-(4-amino-1,2-dihydroxybutyl)-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
6-(4-amino-1,2-dihydroxybutyl)-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one has a molecular weight of 238.25 g/mol, XLogP of -1.23, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-amino-1,2-dihydroxybutyl)-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 171881501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).