acetylene;4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-methoxybutan-1-ol

C13H18N4O2 — CID 145074462

IUPACacetylene;4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-methoxybutan-1-ol
SMILESC#C.COC(CO)CCc1ccc2c(N)ncnn12
InChIInChI=1S/C11H16N4O2.C2H2/c1-17-9(6-16)4-2-8-3-5-10-11(12)13-7-14-15(8)10;1-2/h3,5,7,9,16H,2,4,6H2,1H3,(H2,12,13,14);1-2H
InChIKeyOTXZGFHKPOLXIF-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.50
Rot. Bonds5

About acetylene;4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-methoxybutan-1-ol

acetylene;4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-methoxybutan-1-ol (PubChem CID 145074462) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is acetylene;4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-methoxybutan-1-ol.

Molecular Properties

Compound Nameacetylene;4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-methoxybutan-1-ol
PubChem CID145074462
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Nameacetylene;4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-methoxybutan-1-ol
SMILESC#C.COC(CO)CCc1ccc2c(N)ncnn12
InChIInChI=1S/C11H16N4O2.C2H2/c1-17-9(6-16)4-2-8-3-5-10-11(12)13-7-14-15(8)10;1-2/h3,5,7,9,16H,2,4,6H2,1H3,(H2,12,13,14);1-2H
InChIKeyOTXZGFHKPOLXIF-UHFFFAOYSA-N
XLogP0.50
TPSA85.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

[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
acetic acid;[4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-methoxybutyl] azocane-1-carboxylate;formonitrile
CID 176947785
[4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-methoxybutyl] icosyl hydrogen phosphite;formonitrile;phenylmethanol
CID 167477541
4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)butan-1-ol
CID 58529282
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
S-[2-[[4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-methoxybutoxy]-[2-(2,2-dimethylpropanoylsulfanyl)ethoxy]phosphoryl]oxyethyl] 2,2-dimethylpropanethioate
CID 138739729
(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
[4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-methoxybutyl] azetidin-3-yl carbonate;ethane;formonitrile;pentanedioic acid
CID 172567764
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-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-methoxybutyl] [2-[(6-cyano-3-pyridinyl)methoxy]-3-octadecoxypropyl] hydrogen phosphite;formonitrile
CID 167478020
[4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-methoxybutyl] 2-[(3-cyano-5-fluorophenyl)methoxy]icosyl hydrogen phosphite
CID 167477773

Frequently Asked Questions

What is the IUPAC name of acetylene;4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-methoxybutan-1-ol?
The IUPAC name of acetylene;4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-methoxybutan-1-ol (CID 145074462) is acetylene;4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-methoxybutan-1-ol.
What is the SMILES notation for acetylene;4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-methoxybutan-1-ol?
The canonical SMILES for acetylene;4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-methoxybutan-1-ol is C#C.COC(CO)CCc1ccc2c(N)ncnn12.
What is the InChIKey of acetylene;4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-methoxybutan-1-ol?
The InChIKey is OTXZGFHKPOLXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2.C2H2/c1-17-9(6-16)4-2-8-3-5-10-11(12)13-7-14-15(8)10;1-2/h3,5,7,9,16H,2,4,6H2,1H3,(H2,12,13,14);1-2H.
What are the key properties of acetylene;4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-methoxybutan-1-ol?
acetylene;4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-methoxybutan-1-ol has a molecular weight of 262.31 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-methoxybutan-1-ol is sourced from PubChem (CID 145074462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).