(2R,3R,4R)-1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2,3,4,5-tetrahydroxypentan-1-one

C11H14N4O5 — CID 121313180

IUPAC(2R,3R,4R)-1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2,3,4,5-tetrahydroxypentan-1-one
SMILESNc1ncnn2c(C(=O)[C@H](O)[C@H](O)[C@H](O)CO)ccc12
InChIInChI=1S/C11H14N4O5/c12-11-6-2-1-5(15(6)14-4-13-11)8(18)10(20)9(19)7(17)3-16/h1-2,4,7,9-10,16-17,19-20H,3H2,(H2,12,13,14)/t7-,9-,10+/m1/s1
InChIKeyBMUDDCFCFBKLIN-QNSHHTMESA-N
MW282.26 g/mol
LogP-2.43
Rot. Bonds5

About (2R,3R,4R)-1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2,3,4,5-tetrahydroxypentan-1-one

(2R,3R,4R)-1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2,3,4,5-tetrahydroxypentan-1-one (PubChem CID 121313180) has the molecular formula C11H14N4O5 and a molecular weight of 282.26 g/mol. Its IUPAC name is (2R,3R,4R)-1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2,3,4,5-tetrahydroxypentan-1-one.

Molecular Properties

Compound Name(2R,3R,4R)-1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2,3,4,5-tetrahydroxypentan-1-one
PubChem CID121313180
Molecular FormulaC11H14N4O5
Molecular Weight282.26 g/mol
Exact Mass282.10
IUPAC Name(2R,3R,4R)-1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2,3,4,5-tetrahydroxypentan-1-one
SMILESNc1ncnn2c(C(=O)[C@H](O)[C@H](O)[C@H](O)CO)ccc12
InChIInChI=1S/C11H14N4O5/c12-11-6-2-1-5(15(6)14-4-13-11)8(18)10(20)9(19)7(17)3-16/h1-2,4,7,9-10,16-17,19-20H,3H2,(H2,12,13,14)/t7-,9-,10+/m1/s1
InChIKeyBMUDDCFCFBKLIN-QNSHHTMESA-N
XLogP-2.43
TPSA154.20 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 5-2.43
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze (2R,3R,4R)-1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2,3,4,5-tetrahydroxypentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanol
CID 90397339
1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-chloroethanol
CID 143458596
7-iodopyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 90176299
(2R,4R)-1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-hydroxy-2,4,5-tris(phenylmethoxy)pentan-1-one
CID 167227998
ethane;7-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 145368095
(2R,3R,4R)-2,3,4,5-tetrahydroxy-1-pyridin-2-ylpentan-1-one
CID 23579935
1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-hydroxy-5-phenylmethoxypentan-1-one;methoxymethylbenzene
CID 145074475
[(3S)-4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-hydroxy-2-methoxybutyl] 2-methylpropanoate
CID 170613971
acetylene;4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-methoxybutan-1-ol
CID 145074462
1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-[4-benzyl-2-(hydroxymethyl)piperazin-1-yl]ethanone
CID 143458944
tert-butyl 2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)acetate
CID 166517927
3-[(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-hydroxymethyl]pyrrolidine-1-carboxylic acid
CID 123228089

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2,3,4,5-tetrahydroxypentan-1-one?
The IUPAC name of (2R,3R,4R)-1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2,3,4,5-tetrahydroxypentan-1-one (CID 121313180) is (2R,3R,4R)-1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2,3,4,5-tetrahydroxypentan-1-one.
What is the SMILES notation for (2R,3R,4R)-1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2,3,4,5-tetrahydroxypentan-1-one?
The canonical SMILES for (2R,3R,4R)-1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2,3,4,5-tetrahydroxypentan-1-one is Nc1ncnn2c(C(=O)[C@H](O)[C@H](O)[C@H](O)CO)ccc12.
What is the InChIKey of (2R,3R,4R)-1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2,3,4,5-tetrahydroxypentan-1-one?
The InChIKey is BMUDDCFCFBKLIN-QNSHHTMESA-N. The full InChI is InChI=1S/C11H14N4O5/c12-11-6-2-1-5(15(6)14-4-13-11)8(18)10(20)9(19)7(17)3-16/h1-2,4,7,9-10,16-17,19-20H,3H2,(H2,12,13,14)/t7-,9-,10+/m1/s1.
What are the key properties of (2R,3R,4R)-1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2,3,4,5-tetrahydroxypentan-1-one?
(2R,3R,4R)-1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2,3,4,5-tetrahydroxypentan-1-one has a molecular weight of 282.26 g/mol, XLogP of -2.43, 5 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2,3,4,5-tetrahydroxypentan-1-one is sourced from PubChem (CID 121313180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).