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

C17H23N7O — CID 142498540

IUPACN-(1-cyclopropylimidazol-4-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;methanol
SMILESCO.c1cc2c(Nc3cn(C4CC4)cn3)nc(N3CCCC3)nn2c1
InChIInChI=1S/C16H19N7.CH4O/c1-2-8-21(7-1)16-19-15(13-4-3-9-23(13)20-16)18-14-10-22(11-17-14)12-5-6-12;1-2/h3-4,9-12H,1-2,5-8H2,(H,18,19,20);2H,1H3
InChIKeyRVJDPPBLSDVURU-UHFFFAOYSA-N
MW341.42 g/mol
LogP2.21
Rot. Bonds4

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

N-(1-cyclopropylimidazol-4-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;methanol (PubChem CID 142498540) has the molecular formula C17H23N7O and a molecular weight of 341.42 g/mol. Its IUPAC name is N-(1-cyclopropylimidazol-4-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;methanol.

Molecular Properties

Compound NameN-(1-cyclopropylimidazol-4-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;methanol
PubChem CID142498540
Molecular FormulaC17H23N7O
Molecular Weight341.42 g/mol
Exact Mass341.20
IUPAC NameN-(1-cyclopropylimidazol-4-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;methanol
SMILESCO.c1cc2c(Nc3cn(C4CC4)cn3)nc(N3CCCC3)nn2c1
InChIInChI=1S/C16H19N7.CH4O/c1-2-8-21(7-1)16-19-15(13-4-3-9-23(13)20-16)18-14-10-22(11-17-14)12-5-6-12;1-2/h3-4,9-12H,1-2,5-8H2,(H,18,19,20);2H,1H3
InChIKeyRVJDPPBLSDVURU-UHFFFAOYSA-N
XLogP2.21
TPSA83.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(1-cyclobutylimidazol-4-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;ethane
CID 142498660
N-[1-(2-fluorophenyl)imidazol-4-yl]-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;methanol
CID 142498510
N-(1-cyclobutylimidazol-4-yl)-2-[(2S)-2-phenylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 137362642
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-methylimidazol-4-yl)-2-(2-pyridin-3-ylpyrrolidin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 142497938
[(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
(2S,4S)-4-hydroxy-1-[4-[(1-propan-2-ylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidine-2-carboxamide
CID 90243334
1-[4-[(1-methylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-[(3R)-piperidin-3-yl]pyrrolidine-2-carboxamide
CID 163524731

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylimidazol-4-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;methanol?
The IUPAC name of N-(1-cyclopropylimidazol-4-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;methanol (CID 142498540) is N-(1-cyclopropylimidazol-4-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;methanol.
What is the SMILES notation for N-(1-cyclopropylimidazol-4-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;methanol?
The canonical SMILES for N-(1-cyclopropylimidazol-4-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;methanol is CO.c1cc2c(Nc3cn(C4CC4)cn3)nc(N3CCCC3)nn2c1.
What is the InChIKey of N-(1-cyclopropylimidazol-4-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;methanol?
The InChIKey is RVJDPPBLSDVURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7.CH4O/c1-2-8-21(7-1)16-19-15(13-4-3-9-23(13)20-16)18-14-10-22(11-17-14)12-5-6-12;1-2/h3-4,9-12H,1-2,5-8H2,(H,18,19,20);2H,1H3.
What are the key properties of N-(1-cyclopropylimidazol-4-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;methanol?
N-(1-cyclopropylimidazol-4-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;methanol has a molecular weight of 341.42 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylimidazol-4-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;methanol is sourced from PubChem (CID 142498540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).