3-[[2-(aminomethyl)phenyl]methyl]-2-(3-aminopiperidin-1-yl)imidazo[2,1-f][1,2,4]triazin-4-one

C18H23N7O — CID 11674757

IUPAC3-[[2-(aminomethyl)phenyl]methyl]-2-(3-aminopiperidin-1-yl)imidazo[2,1-f][1,2,4]triazin-4-one
SMILESNCc1ccccc1Cn1c(N2CCCC(N)C2)nn2ccnc2c1=O
InChIInChI=1S/C18H23N7O/c19-10-13-4-1-2-5-14(13)11-24-17(26)16-21-7-9-25(16)22-18(24)23-8-3-6-15(20)12-23/h1-2,4-5,7,9,15H,3,6,8,10-12,19-20H2
InChIKeySRZVNNACWCMMFA-UHFFFAOYSA-N
MW353.43 g/mol
LogP0.33
Rot. Bonds4

About 3-[[2-(aminomethyl)phenyl]methyl]-2-(3-aminopiperidin-1-yl)imidazo[2,1-f][1,2,4]triazin-4-one

3-[[2-(aminomethyl)phenyl]methyl]-2-(3-aminopiperidin-1-yl)imidazo[2,1-f][1,2,4]triazin-4-one (PubChem CID 11674757) has the molecular formula C18H23N7O and a molecular weight of 353.43 g/mol. Its IUPAC name is 3-[[2-(aminomethyl)phenyl]methyl]-2-(3-aminopiperidin-1-yl)imidazo[2,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name3-[[2-(aminomethyl)phenyl]methyl]-2-(3-aminopiperidin-1-yl)imidazo[2,1-f][1,2,4]triazin-4-one
PubChem CID11674757
Molecular FormulaC18H23N7O
Molecular Weight353.43 g/mol
Exact Mass353.20
IUPAC Name3-[[2-(aminomethyl)phenyl]methyl]-2-(3-aminopiperidin-1-yl)imidazo[2,1-f][1,2,4]triazin-4-one
SMILESNCc1ccccc1Cn1c(N2CCCC(N)C2)nn2ccnc2c1=O
InChIInChI=1S/C18H23N7O/c19-10-13-4-1-2-5-14(13)11-24-17(26)16-21-7-9-25(16)22-18(24)23-8-3-6-15(20)12-23/h1-2,4-5,7,9,15H,3,6,8,10-12,19-20H2
InChIKeySRZVNNACWCMMFA-UHFFFAOYSA-N
XLogP0.33
TPSA107.47 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[[2-[(3R)-3-aminopiperidin-1-yl]-4-oxoimidazo[5,1-f][1,2,4]triazin-3-yl]methyl]benzonitrile
CID 58224049
2-[[6-(3-aminopiperidin-1-yl)-8-oxoimidazo[1,2-a]pyrazin-7-yl]methyl]benzonitrile
CID 67122509
2-[[2-[(3R)-3-aminopiperidin-1-yl]-6-oxopyrimidin-1-yl]methyl]benzonitrile
CID 11392716
2-[[2-(3-aminopiperidin-1-yl)-6-oxo-5-pyrrolidin-1-ylpyrimidin-1-yl]methyl]benzonitrile
CID 23069612
2-[[2-(3-aminopiperidin-1-yl)-5-ethynyl-6-oxopyrimidin-1-yl]methyl]benzonitrile
CID 72953043
2-[[2-[(3R)-3-aminopiperidin-1-yl]-4,5-dimethyl-6-oxopyrimidin-1-yl]methyl]benzonitrile
CID 11348315
2-[[2-(3-aminopiperidin-1-yl)-4,5-dimethyl-6-oxopyrimidin-1-yl]methyl]benzonitrile
CID 68625482
3-[(3R)-3-aminopiperidin-1-yl]-6-methyl-4-[(5-methyl-2-sulfanylphenyl)methyl]-1,2,4-triazin-5-one
CID 163600924
3-[(2-aminophenyl)methyl]-2-[(3R)-3-aminopiperidin-1-yl]-6,8-dichloroquinazolin-4-one
CID 70341723
7-(3-aminopiperidin-1-yl)-1-[(2-fluorophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-2-one
CID 70975727
8-(3-aminopiperidin-1-yl)-1,3-dimethyl-7-[(2-methylphenyl)methyl]purine-2,6-dione
CID 22508582
2-[(3R)-3-aminopiperidin-1-yl]-6-fluoro-3-[[2-(trifluoromethyl)phenyl]methyl]quinazolin-4-one
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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(aminomethyl)phenyl]methyl]-2-(3-aminopiperidin-1-yl)imidazo[2,1-f][1,2,4]triazin-4-one?
The IUPAC name of 3-[[2-(aminomethyl)phenyl]methyl]-2-(3-aminopiperidin-1-yl)imidazo[2,1-f][1,2,4]triazin-4-one (CID 11674757) is 3-[[2-(aminomethyl)phenyl]methyl]-2-(3-aminopiperidin-1-yl)imidazo[2,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 3-[[2-(aminomethyl)phenyl]methyl]-2-(3-aminopiperidin-1-yl)imidazo[2,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 3-[[2-(aminomethyl)phenyl]methyl]-2-(3-aminopiperidin-1-yl)imidazo[2,1-f][1,2,4]triazin-4-one is NCc1ccccc1Cn1c(N2CCCC(N)C2)nn2ccnc2c1=O.
What is the InChIKey of 3-[[2-(aminomethyl)phenyl]methyl]-2-(3-aminopiperidin-1-yl)imidazo[2,1-f][1,2,4]triazin-4-one?
The InChIKey is SRZVNNACWCMMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O/c19-10-13-4-1-2-5-14(13)11-24-17(26)16-21-7-9-25(16)22-18(24)23-8-3-6-15(20)12-23/h1-2,4-5,7,9,15H,3,6,8,10-12,19-20H2.
What are the key properties of 3-[[2-(aminomethyl)phenyl]methyl]-2-(3-aminopiperidin-1-yl)imidazo[2,1-f][1,2,4]triazin-4-one?
3-[[2-(aminomethyl)phenyl]methyl]-2-(3-aminopiperidin-1-yl)imidazo[2,1-f][1,2,4]triazin-4-one has a molecular weight of 353.43 g/mol, XLogP of 0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(aminomethyl)phenyl]methyl]-2-(3-aminopiperidin-1-yl)imidazo[2,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 11674757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).