N-(1-cyclobutylimidazol-4-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;ethane

C19H27N7 — CID 142498660

IUPACN-(1-cyclobutylimidazol-4-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;ethane
SMILESCC.c1cc2c(Nc3cn(C4CCC4)cn3)nc(N3CCCC3)nn2c1
InChIInChI=1S/C17H21N7.C2H6/c1-2-9-22(8-1)17-20-16(14-7-4-10-24(14)21-17)19-15-11-23(12-18-15)13-5-3-6-13;1-2/h4,7,10-13H,1-3,5-6,8-9H2,(H,19,20,21);1-2H3
InChIKeyGPIZWOVSUPINII-UHFFFAOYSA-N
MW353.47 g/mol
LogP4.02
Rot. Bonds4

About N-(1-cyclobutylimidazol-4-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;ethane

N-(1-cyclobutylimidazol-4-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;ethane (PubChem CID 142498660) has the molecular formula C19H27N7 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-(1-cyclobutylimidazol-4-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;ethane.

Molecular Properties

Compound NameN-(1-cyclobutylimidazol-4-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;ethane
PubChem CID142498660
Molecular FormulaC19H27N7
Molecular Weight353.47 g/mol
Exact Mass353.23
IUPAC NameN-(1-cyclobutylimidazol-4-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;ethane
SMILESCC.c1cc2c(Nc3cn(C4CCC4)cn3)nc(N3CCCC3)nn2c1
InChIInChI=1S/C17H21N7.C2H6/c1-2-9-22(8-1)17-20-16(14-7-4-10-24(14)21-17)19-15-11-23(12-18-15)13-5-3-6-13;1-2/h4,7,10-13H,1-3,5-6,8-9H2,(H,19,20,21);1-2H3
InChIKeyGPIZWOVSUPINII-UHFFFAOYSA-N
XLogP4.02
TPSA63.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1-cyclopropylimidazol-4-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;methanol
CID 142498540
N-(1-cyclobutylimidazol-4-yl)-2-[(2S)-2-phenylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 137362642
N-[1-(2-fluorophenyl)imidazol-4-yl]-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;methanol
CID 142498510
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 58095931
acetylene;N-(6-fluoro-3-pyridinyl)formamide;N-(1-propan-2-ylimidazol-4-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 143606443
2-(4-aminopiperidin-1-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 68840389
N-[1-(3,4-dimethoxy-5-methylphenyl)imidazol-4-yl]-2-(4-methylpiperazin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 163451204
N-(1-methylimidazol-4-yl)-2-(2-pyridin-3-ylpyrrolidin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 142497938
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(2-methylpyrrolidin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 78030389
[(2S)-1-[4-[[1-(4-fluorophenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol
CID 137362700
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;ethyl benzoate;formamide
CID 143606616
1-[(2S)-1-[4-[(1-ethylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]-2-piperidin-3-ylethanone
CID 58277717

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclobutylimidazol-4-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;ethane?
The IUPAC name of N-(1-cyclobutylimidazol-4-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;ethane (CID 142498660) is N-(1-cyclobutylimidazol-4-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;ethane.
What is the SMILES notation for N-(1-cyclobutylimidazol-4-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;ethane?
The canonical SMILES for N-(1-cyclobutylimidazol-4-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;ethane is CC.c1cc2c(Nc3cn(C4CCC4)cn3)nc(N3CCCC3)nn2c1.
What is the InChIKey of N-(1-cyclobutylimidazol-4-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;ethane?
The InChIKey is GPIZWOVSUPINII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7.C2H6/c1-2-9-22(8-1)17-20-16(14-7-4-10-24(14)21-17)19-15-11-23(12-18-15)13-5-3-6-13;1-2/h4,7,10-13H,1-3,5-6,8-9H2,(H,19,20,21);1-2H3.
What are the key properties of N-(1-cyclobutylimidazol-4-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;ethane?
N-(1-cyclobutylimidazol-4-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;ethane has a molecular weight of 353.47 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclobutylimidazol-4-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;ethane is sourced from PubChem (CID 142498660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).