7-(1-ethylcyclobutyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine;oxan-3-ol

C17H26N4O2 — CID 169116968

IUPAC7-(1-ethylcyclobutyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine;oxan-3-ol
SMILESCCC1(c2ccc3cnc(N)nn23)CCC1.OC1CCCOC1
InChIInChI=1S/C12H16N4.C5H10O2/c1-2-12(6-3-7-12)10-5-4-9-8-14-11(13)15-16(9)10;6-5-2-1-3-7-4-5/h4-5,8H,2-3,6-7H2,1H3,(H2,13,15);5-6H,1-4H2
InChIKeyBRAJBUYRODAIFP-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.30
Rot. Bonds2

About 7-(1-ethylcyclobutyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine;oxan-3-ol

7-(1-ethylcyclobutyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine;oxan-3-ol (PubChem CID 169116968) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 7-(1-ethylcyclobutyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine;oxan-3-ol.

Molecular Properties

Compound Name7-(1-ethylcyclobutyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine;oxan-3-ol
PubChem CID169116968
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name7-(1-ethylcyclobutyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine;oxan-3-ol
SMILESCCC1(c2ccc3cnc(N)nn23)CCC1.OC1CCCOC1
InChIInChI=1S/C12H16N4.C5H10O2/c1-2-12(6-3-7-12)10-5-4-9-8-14-11(13)15-16(9)10;6-5-2-1-3-7-4-5/h4-5,8H,2-3,6-7H2,1H3,(H2,13,15);5-6H,1-4H2
InChIKeyBRAJBUYRODAIFP-UHFFFAOYSA-N
XLogP2.30
TPSA85.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

7-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine;oxan-3-ol
CID 169117498
5-chloro-7-[1-(methylaminomethyl)cyclobutyl]imidazo[5,1-f][1,2,4]triazin-2-amine;oxan-3-ol
CID 176688929
7-[5-(2,2-difluoroethyl)-3-fluoro-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine;oxan-3-ol
CID 169117235
6-bromo-5-fluoro-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine;oxan-3-ol
CID 169117628
7-[2,6-difluoro-4-(1-methylcyclopropyl)phenyl]-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine;oxan-3-ol
CID 169117739
7-(4-tert-butyl-2-fluorophenyl)-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine;oxan-3-ol
CID 169117261
5-chloro-7-(3,3-difluorocyclopentyl)imidazo[5,1-f][1,2,4]triazin-2-amine;oxan-3-ol
CID 176688923
5-chloro-7-spiro[2.3]hexan-5-ylimidazo[5,1-f][1,2,4]triazin-2-amine;oxan-3-ol
CID 176688856
6-bromo-7-cyclopentyl-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine;oxan-3-ol
CID 169117443
6-bromo-5-fluoro-7-(1,1,1-trifluoropropan-2-yl)pyrrolo[2,1-f][1,2,4]triazin-2-amine;oxan-3-ol
CID 169117736
5-bromo-7-(1-ethylcyclobutyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 169117947
2-amino-5-fluoro-7-[(2-methylcyclobutyl)methyl]pyrrolo[2,1-f][1,2,4]triazine-6-carbonitrile;oxan-3-ol
CID 169116987

Frequently Asked Questions

What is the IUPAC name of 7-(1-ethylcyclobutyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine;oxan-3-ol?
The IUPAC name of 7-(1-ethylcyclobutyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine;oxan-3-ol (CID 169116968) is 7-(1-ethylcyclobutyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine;oxan-3-ol.
What is the SMILES notation for 7-(1-ethylcyclobutyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine;oxan-3-ol?
The canonical SMILES for 7-(1-ethylcyclobutyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine;oxan-3-ol is CCC1(c2ccc3cnc(N)nn23)CCC1.OC1CCCOC1.
What is the InChIKey of 7-(1-ethylcyclobutyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine;oxan-3-ol?
The InChIKey is BRAJBUYRODAIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4.C5H10O2/c1-2-12(6-3-7-12)10-5-4-9-8-14-11(13)15-16(9)10;6-5-2-1-3-7-4-5/h4-5,8H,2-3,6-7H2,1H3,(H2,13,15);5-6H,1-4H2.
What are the key properties of 7-(1-ethylcyclobutyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine;oxan-3-ol?
7-(1-ethylcyclobutyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine;oxan-3-ol has a molecular weight of 318.42 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-ethylcyclobutyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine;oxan-3-ol is sourced from PubChem (CID 169116968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).