[1-[[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanamine

C19H25N7 — CID 45243962

IUPAC[1-[[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanamine
SMILESNCc1cn(CC2CCCN(Cc3cccn3-c3ccccn3)C2)nn1
InChIInChI=1S/C19H25N7/c20-11-17-14-25(23-22-17)13-16-5-3-9-24(12-16)15-18-6-4-10-26(18)19-7-1-2-8-21-19/h1-2,4,6-8,10,14,16H,3,5,9,11-13,15,20H2
InChIKeyBEFNLHPALILEGE-UHFFFAOYSA-N
MW351.46 g/mol
LogP1.83
Rot. Bonds6

About [1-[[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanamine

[1-[[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanamine (PubChem CID 45243962) has the molecular formula C19H25N7 and a molecular weight of 351.46 g/mol. Its IUPAC name is [1-[[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanamine
PubChem CID45243962
Molecular FormulaC19H25N7
Molecular Weight351.46 g/mol
Exact Mass351.22
IUPAC Name[1-[[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanamine
SMILESNCc1cn(CC2CCCN(Cc3cccn3-c3ccccn3)C2)nn1
InChIInChI=1S/C19H25N7/c20-11-17-14-25(23-22-17)13-16-5-3-9-24(12-16)15-18-6-4-10-26(18)19-7-1-2-8-21-19/h1-2,4,6-8,10,14,16H,3,5,9,11-13,15,20H2
InChIKeyBEFNLHPALILEGE-UHFFFAOYSA-N
XLogP1.83
TPSA77.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.46
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [1-[[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanamine with MolForge

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Related Compounds

1-phenyl-4-[(3S)-1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-3-yl]piperazine
CID 29025981
N-phenyl-1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-3-amine
CID 45244125
[1-[[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanamine
CID 45227302
2-[1-[[(3R)-1-[(2,3-dimethylimidazol-4-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]pyridine
CID 29025684
[1-[[1-[[2-(furan-2-yl)phenyl]methyl]piperidin-3-yl]methyl]triazol-4-yl]methanamine
CID 45234763
1-(2-methylphenyl)-4-[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-3-yl]piperazine
CID 45199090
1-(4-fluorophenyl)-4-[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-3-yl]piperazine
CID 45195712
(4-chlorophenyl)-[(3R)-1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-3-yl]methanone
CID 42520305
[1-[[(3S)-1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]piperidin-3-yl]methyl]triazol-4-yl]methanamine
CID 31075020
[1-[[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanol
CID 45209928
2-[2-[[(3R)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyrrol-1-yl]pyridine
CID 29208732
(4aS,8aR)-1-(2-aminoethyl)-6-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 56917333

Frequently Asked Questions

What is the IUPAC name of [1-[[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanamine?
The IUPAC name of [1-[[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanamine (CID 45243962) is [1-[[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanamine.
What is the SMILES notation for [1-[[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanamine?
The canonical SMILES for [1-[[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanamine is NCc1cn(CC2CCCN(Cc3cccn3-c3ccccn3)C2)nn1.
What is the InChIKey of [1-[[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanamine?
The InChIKey is BEFNLHPALILEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7/c20-11-17-14-25(23-22-17)13-16-5-3-9-24(12-16)15-18-6-4-10-26(18)19-7-1-2-8-21-19/h1-2,4,6-8,10,14,16H,3,5,9,11-13,15,20H2.
What are the key properties of [1-[[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanamine?
[1-[[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanamine has a molecular weight of 351.46 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanamine is sourced from PubChem (CID 45243962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).