N-(1-methylimidazol-4-yl)-2-(2-pyridin-3-ylpyrrolidin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

C19H20N8 — CID 142497938

IUPACN-(1-methylimidazol-4-yl)-2-(2-pyridin-3-ylpyrrolidin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCn1cnc(Nc2nc(N3CCCC3c3cccnc3)nn3cccc23)c1
InChIInChI=1S/C19H20N8/c1-25-12-17(21-13-25)22-18-16-7-4-10-27(16)24-19(23-18)26-9-3-6-15(26)14-5-2-8-20-11-14/h2,4-5,7-8,10-13,15H,3,6,9H2,1H3,(H,22,23,24)
InChIKeyUQMPPNRTYSUZMJ-UHFFFAOYSA-N
MW360.43 g/mol
LogP2.94
Rot. Bonds4

About N-(1-methylimidazol-4-yl)-2-(2-pyridin-3-ylpyrrolidin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

N-(1-methylimidazol-4-yl)-2-(2-pyridin-3-ylpyrrolidin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 142497938) has the molecular formula C19H20N8 and a molecular weight of 360.43 g/mol. Its IUPAC name is N-(1-methylimidazol-4-yl)-2-(2-pyridin-3-ylpyrrolidin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound NameN-(1-methylimidazol-4-yl)-2-(2-pyridin-3-ylpyrrolidin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID142497938
Molecular FormulaC19H20N8
Molecular Weight360.43 g/mol
Exact Mass360.18
IUPAC NameN-(1-methylimidazol-4-yl)-2-(2-pyridin-3-ylpyrrolidin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCn1cnc(Nc2nc(N3CCCC3c3cccnc3)nn3cccc23)c1
InChIInChI=1S/C19H20N8/c1-25-12-17(21-13-25)22-18-16-7-4-10-27(16)24-19(23-18)26-9-3-6-15(26)14-5-2-8-20-11-14/h2,4-5,7-8,10-13,15H,3,6,9H2,1H3,(H,22,23,24)
InChIKeyUQMPPNRTYSUZMJ-UHFFFAOYSA-N
XLogP2.94
TPSA76.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(1-cyclobutylimidazol-4-yl)-2-[(2S)-2-phenylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 137362642
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
N-(1-methylimidazol-4-yl)-2-(2-phenylpyrrolidin-1-yl)furo[3,2-d]pyrimidin-4-amine
CID 142498070
N-(1-cyclopropylimidazol-4-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;methanol
CID 142498540
2-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine
CID 31536956
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(2-methylpyrrolidin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 78030389
2-[[2-[(2S)-2-methylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-1,3-thiazole-5-carbonitrile
CID 89305964
N-cyclopropyl-3-[[2-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-1H-pyrazole-5-carboxamide
CID 24824686
[(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
3-(1-methylpyrrolidin-2-yl)pyridine;zinc
CID 67468212
hydron;bis(3-(1-methylpyrrolidin-2-yl)pyridine)
CID 158783488
3-(1-methyl(115N)azolidin-2-yl)pyridine
CID 11126596

Frequently Asked Questions

What is the IUPAC name of N-(1-methylimidazol-4-yl)-2-(2-pyridin-3-ylpyrrolidin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of N-(1-methylimidazol-4-yl)-2-(2-pyridin-3-ylpyrrolidin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 142497938) is N-(1-methylimidazol-4-yl)-2-(2-pyridin-3-ylpyrrolidin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for N-(1-methylimidazol-4-yl)-2-(2-pyridin-3-ylpyrrolidin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for N-(1-methylimidazol-4-yl)-2-(2-pyridin-3-ylpyrrolidin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is Cn1cnc(Nc2nc(N3CCCC3c3cccnc3)nn3cccc23)c1.
What is the InChIKey of N-(1-methylimidazol-4-yl)-2-(2-pyridin-3-ylpyrrolidin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is UQMPPNRTYSUZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N8/c1-25-12-17(21-13-25)22-18-16-7-4-10-27(16)24-19(23-18)26-9-3-6-15(26)14-5-2-8-20-11-14/h2,4-5,7-8,10-13,15H,3,6,9H2,1H3,(H,22,23,24).
What are the key properties of N-(1-methylimidazol-4-yl)-2-(2-pyridin-3-ylpyrrolidin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
N-(1-methylimidazol-4-yl)-2-(2-pyridin-3-ylpyrrolidin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 360.43 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylimidazol-4-yl)-2-(2-pyridin-3-ylpyrrolidin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 142497938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).