4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)butan-1-ol

C10H14N4O — CID 58529282

IUPAC4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)butan-1-ol
SMILESNc1ncnn2c(CCCCO)ccc12
InChIInChI=1S/C10H14N4O/c11-10-9-5-4-8(3-1-2-6-15)14(9)13-7-12-10/h4-5,7,15H,1-3,6H2,(H2,11,12,13)
InChIKeyNHJIMEOUWHFTOC-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.63
Rot. Bonds4

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

4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)butan-1-ol (PubChem CID 58529282) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)butan-1-ol.

Molecular Properties

Compound Name4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)butan-1-ol
PubChem CID58529282
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)butan-1-ol
SMILESNc1ncnn2c(CCCCO)ccc12
InChIInChI=1S/C10H14N4O/c11-10-9-5-4-8(3-1-2-6-15)14(9)13-7-12-10/h4-5,7,15H,1-3,6H2,(H2,11,12,13)
InChIKeyNHJIMEOUWHFTOC-UHFFFAOYSA-N
XLogP0.63
TPSA76.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

acetylene;4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-methoxybutan-1-ol
CID 145074462
7-iodopyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 90176299
tert-butyl 2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)acetate
CID 166517927
[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
1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-chloroethanol
CID 143458596
1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanol
CID 90397339
(2S,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
CID 154009986
tert-butyl 3-[(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)methyl]azetidine-1-carboxylate
CID 58529825
[(3S)-4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-hydroxy-2-methoxybutyl] 2-methylpropanoate
CID 170613971
[4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-methoxybutyl] icosyl hydrogen phosphite;formonitrile;phenylmethanol
CID 167477541
(2S,3R,4S,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 10264872

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)butan-1-ol?
The IUPAC name of 4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)butan-1-ol (CID 58529282) is 4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)butan-1-ol.
What is the SMILES notation for 4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)butan-1-ol?
The canonical SMILES for 4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)butan-1-ol is Nc1ncnn2c(CCCCO)ccc12.
What is the InChIKey of 4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)butan-1-ol?
The InChIKey is NHJIMEOUWHFTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c11-10-9-5-4-8(3-1-2-6-15)14(9)13-7-12-10/h4-5,7,15H,1-3,6H2,(H2,11,12,13).
What are the key properties of 4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)butan-1-ol?
4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)butan-1-ol has a molecular weight of 206.25 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)butan-1-ol is sourced from PubChem (CID 58529282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).