4-methyl-N'-[[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidin-3-yl]methyl]piperidine-1-carboximidamide

C18H28N8 — CID 119933987

IUPAC4-methyl-N'-[[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidin-3-yl]methyl]piperidine-1-carboximidamide
SMILESCC1CCN(/C(N)=N/CC2CCCN(c3nccn4cnnc34)C2)CC1
InChIInChI=1S/C18H28N8/c1-14-4-8-24(9-5-14)18(19)21-11-15-3-2-7-25(12-15)16-17-23-22-13-26(17)10-6-20-16/h6,10,13-15H,2-5,7-9,11-12H2,1H3,(H2,19,21)
InChIKeyLLZAGDAHPQAWPY-UHFFFAOYSA-N
MW356.48 g/mol
LogP1.39
Rot. Bonds3

About 4-methyl-N'-[[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidin-3-yl]methyl]piperidine-1-carboximidamide

4-methyl-N'-[[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidin-3-yl]methyl]piperidine-1-carboximidamide (PubChem CID 119933987) has the molecular formula C18H28N8 and a molecular weight of 356.48 g/mol. Its IUPAC name is 4-methyl-N'-[[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidin-3-yl]methyl]piperidine-1-carboximidamide.

Molecular Properties

Compound Name4-methyl-N'-[[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidin-3-yl]methyl]piperidine-1-carboximidamide
PubChem CID119933987
Molecular FormulaC18H28N8
Molecular Weight356.48 g/mol
Exact Mass356.24
IUPAC Name4-methyl-N'-[[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidin-3-yl]methyl]piperidine-1-carboximidamide
SMILESCC1CCN(/C(N)=N/CC2CCCN(c3nccn4cnnc34)C2)CC1
InChIInChI=1S/C18H28N8/c1-14-4-8-24(9-5-14)18(19)21-11-15-3-2-7-25(12-15)16-17-23-22-13-26(17)10-6-20-16/h6,10,13-15H,2-5,7-9,11-12H2,1H3,(H2,19,21)
InChIKeyLLZAGDAHPQAWPY-UHFFFAOYSA-N
XLogP1.39
TPSA87.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.48
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N'-[[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidin-3-yl]methyl]piperidine-1-carboximidamide?
The IUPAC name of 4-methyl-N'-[[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidin-3-yl]methyl]piperidine-1-carboximidamide (CID 119933987) is 4-methyl-N'-[[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidin-3-yl]methyl]piperidine-1-carboximidamide.
What is the SMILES notation for 4-methyl-N'-[[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidin-3-yl]methyl]piperidine-1-carboximidamide?
The canonical SMILES for 4-methyl-N'-[[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidin-3-yl]methyl]piperidine-1-carboximidamide is CC1CCN(/C(N)=N/CC2CCCN(c3nccn4cnnc34)C2)CC1.
What is the InChIKey of 4-methyl-N'-[[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidin-3-yl]methyl]piperidine-1-carboximidamide?
The InChIKey is LLZAGDAHPQAWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N8/c1-14-4-8-24(9-5-14)18(19)21-11-15-3-2-7-25(12-15)16-17-23-22-13-26(17)10-6-20-16/h6,10,13-15H,2-5,7-9,11-12H2,1H3,(H2,19,21).
What are the key properties of 4-methyl-N'-[[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidin-3-yl]methyl]piperidine-1-carboximidamide?
4-methyl-N'-[[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidin-3-yl]methyl]piperidine-1-carboximidamide has a molecular weight of 356.48 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N'-[[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidin-3-yl]methyl]piperidine-1-carboximidamide is sourced from PubChem (CID 119933987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).