(2S)-4-[4-amino-5-(2H-triazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2-methoxybutan-1-ol

C13H17N7O2 — CID 143921811

IUPAC(2S)-4-[4-amino-5-(2H-triazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2-methoxybutan-1-ol
SMILESCO[C@H](CO)CCc1cc(-c2cn[nH]n2)c2c(N)ncnn12
InChIInChI=1S/C13H17N7O2/c1-22-9(6-21)3-2-8-4-10(11-5-16-19-18-11)12-13(14)15-7-17-20(8)12/h4-5,7,9,21H,2-3,6H2,1H3,(H2,14,15,17)(H,16,18,19)/t9-/m0/s1
InChIKeyUGFQQKFSGOPJOZ-VIFPVBQESA-N
MW303.33 g/mol
LogP0.04
Rot. Bonds6

About (2S)-4-[4-amino-5-(2H-triazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2-methoxybutan-1-ol

(2S)-4-[4-amino-5-(2H-triazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2-methoxybutan-1-ol (PubChem CID 143921811) has the molecular formula C13H17N7O2 and a molecular weight of 303.33 g/mol. Its IUPAC name is (2S)-4-[4-amino-5-(2H-triazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2-methoxybutan-1-ol.

Molecular Properties

Compound Name(2S)-4-[4-amino-5-(2H-triazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2-methoxybutan-1-ol
PubChem CID143921811
Molecular FormulaC13H17N7O2
Molecular Weight303.33 g/mol
Exact Mass303.14
IUPAC Name(2S)-4-[4-amino-5-(2H-triazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2-methoxybutan-1-ol
SMILESCO[C@H](CO)CCc1cc(-c2cn[nH]n2)c2c(N)ncnn12
InChIInChI=1S/C13H17N7O2/c1-22-9(6-21)3-2-8-4-10(11-5-16-19-18-11)12-13(14)15-7-17-20(8)12/h4-5,7,9,21H,2-3,6H2,1H3,(H2,14,15,17)(H,16,18,19)/t9-/m0/s1
InChIKeyUGFQQKFSGOPJOZ-VIFPVBQESA-N
XLogP0.04
TPSA127.24 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (2S)-4-[4-amino-5-(2H-triazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2-methoxybutan-1-ol 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

acetylene;4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-methoxybutan-1-ol
CID 145074462
(2R,3R,4R,5S)-5-[4-amino-5-(2H-triazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol
CID 70927184
5-(4-aminophenyl)-7-ethylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 130447829
(2S,3S,5S)-2-[4-amino-5-(2H-triazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-5-azido-5-(hydroxymethyl)oxolan-3-ol
CID 71229232
[4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-methoxybutyl] butanoate
CID 169174457
[4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-methoxybutyl] butanoate;chloromethane
CID 169174496
2-propyl-1,6,7,9,11-pentazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,8,10-pentaen-5-amine
CID 143861143
S-[2-[[4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-methoxybutoxy]-[2-(2,2-dimethylpropanoylsulfanyl)ethoxy]phosphanyl]oxyethyl] 2,2-dimethylpropanethioate
CID 170209363
acetic acid;[4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-methoxybutyl] azocane-1-carboxylate;formonitrile
CID 176947785
methyl 2-[[[4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-methoxybutoxy]-(4-tert-butylphenoxy)phosphanyl]amino]acetate
CID 166913945
4-amino-7-[(1R,2R,3R)-2,3,4-trihydroxy-1-methoxy-2-methylbutyl]pyrrolo[2,1-f][1,2,4]triazine-5-carbonitrile
CID 173483151
7-(morpholin-4-ylmethyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 141191635

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[4-amino-5-(2H-triazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2-methoxybutan-1-ol?
The IUPAC name of (2S)-4-[4-amino-5-(2H-triazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2-methoxybutan-1-ol (CID 143921811) is (2S)-4-[4-amino-5-(2H-triazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2-methoxybutan-1-ol.
What is the SMILES notation for (2S)-4-[4-amino-5-(2H-triazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2-methoxybutan-1-ol?
The canonical SMILES for (2S)-4-[4-amino-5-(2H-triazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2-methoxybutan-1-ol is CO[C@H](CO)CCc1cc(-c2cn[nH]n2)c2c(N)ncnn12.
What is the InChIKey of (2S)-4-[4-amino-5-(2H-triazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2-methoxybutan-1-ol?
The InChIKey is UGFQQKFSGOPJOZ-VIFPVBQESA-N. The full InChI is InChI=1S/C13H17N7O2/c1-22-9(6-21)3-2-8-4-10(11-5-16-19-18-11)12-13(14)15-7-17-20(8)12/h4-5,7,9,21H,2-3,6H2,1H3,(H2,14,15,17)(H,16,18,19)/t9-/m0/s1.
What are the key properties of (2S)-4-[4-amino-5-(2H-triazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2-methoxybutan-1-ol?
(2S)-4-[4-amino-5-(2H-triazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2-methoxybutan-1-ol has a molecular weight of 303.33 g/mol, XLogP of 0.04, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[4-amino-5-(2H-triazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2-methoxybutan-1-ol is sourced from PubChem (CID 143921811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).