2-N-(5-isocyanopyrazin-2-yl)-4-N-(piperidin-2-ylmethyl)pyridine-2,4,5-triamine

C16H20N8 — CID 59613521

IUPAC2-N-(5-isocyanopyrazin-2-yl)-4-N-(piperidin-2-ylmethyl)pyridine-2,4,5-triamine
SMILES[C-]#[N+]c1cnc(Nc2cc(NCC3CCCCN3)c(N)cn2)cn1
InChIInChI=1S/C16H20N8/c1-18-15-9-23-16(10-22-15)24-14-6-13(12(17)8-21-14)20-7-11-4-2-3-5-19-11/h6,8-11,19H,2-5,7,17H2,(H2,20,21,23,24)
InChIKeyFXGIIDYKTZOEBJ-UHFFFAOYSA-N
MW324.39 g/mol
LogP2.30
Rot. Bonds5

About 2-N-(5-isocyanopyrazin-2-yl)-4-N-(piperidin-2-ylmethyl)pyridine-2,4,5-triamine

2-N-(5-isocyanopyrazin-2-yl)-4-N-(piperidin-2-ylmethyl)pyridine-2,4,5-triamine (PubChem CID 59613521) has the molecular formula C16H20N8 and a molecular weight of 324.39 g/mol. Its IUPAC name is 2-N-(5-isocyanopyrazin-2-yl)-4-N-(piperidin-2-ylmethyl)pyridine-2,4,5-triamine.

Molecular Properties

Compound Name2-N-(5-isocyanopyrazin-2-yl)-4-N-(piperidin-2-ylmethyl)pyridine-2,4,5-triamine
PubChem CID59613521
Molecular FormulaC16H20N8
Molecular Weight324.39 g/mol
Exact Mass324.18
IUPAC Name2-N-(5-isocyanopyrazin-2-yl)-4-N-(piperidin-2-ylmethyl)pyridine-2,4,5-triamine
SMILES[C-]#[N+]c1cnc(Nc2cc(NCC3CCCCN3)c(N)cn2)cn1
InChIInChI=1S/C16H20N8/c1-18-15-9-23-16(10-22-15)24-14-6-13(12(17)8-21-14)20-7-11-4-2-3-5-19-11/h6,8-11,19H,2-5,7,17H2,(H2,20,21,23,24)
InChIKeyFXGIIDYKTZOEBJ-UHFFFAOYSA-N
XLogP2.30
TPSA105.14 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 52.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

2-N-(5-ethynylpyrazin-2-yl)-4-N-(piperidin-2-ylmethyl)pyridine-2,4,5-triamine
CID 88882255
N-[[(2S)-piperidin-2-yl]methyl]quinoxalin-2-amine
CID 94416055
6-chloro-N-(piperidin-2-ylmethyl)pyrimidin-4-amine
CID 71639840
5-[[6-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(2-piperidin-2-ylethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 164599251
N-(piperidin-2-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 65276095
4-tert-butyl-N-(piperidin-2-ylmethyl)pyridin-2-amine
CID 126546174
5-fluoro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 62542199
5-bromo-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 62542194
5-cyclohexyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 116974804
2,3,4-trifluoro-N-(piperidin-2-ylmethyl)aniline
CID 106632842
2,5-dimethyl-4-(piperidin-2-ylmethylamino)phenol
CID 106953789
2-chloro-4-methyl-N-(piperidin-2-ylmethyl)aniline
CID 106633070

Frequently Asked Questions

What is the IUPAC name of 2-N-(5-isocyanopyrazin-2-yl)-4-N-(piperidin-2-ylmethyl)pyridine-2,4,5-triamine?
The IUPAC name of 2-N-(5-isocyanopyrazin-2-yl)-4-N-(piperidin-2-ylmethyl)pyridine-2,4,5-triamine (CID 59613521) is 2-N-(5-isocyanopyrazin-2-yl)-4-N-(piperidin-2-ylmethyl)pyridine-2,4,5-triamine.
What is the SMILES notation for 2-N-(5-isocyanopyrazin-2-yl)-4-N-(piperidin-2-ylmethyl)pyridine-2,4,5-triamine?
The canonical SMILES for 2-N-(5-isocyanopyrazin-2-yl)-4-N-(piperidin-2-ylmethyl)pyridine-2,4,5-triamine is [C-]#[N+]c1cnc(Nc2cc(NCC3CCCCN3)c(N)cn2)cn1.
What is the InChIKey of 2-N-(5-isocyanopyrazin-2-yl)-4-N-(piperidin-2-ylmethyl)pyridine-2,4,5-triamine?
The InChIKey is FXGIIDYKTZOEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N8/c1-18-15-9-23-16(10-22-15)24-14-6-13(12(17)8-21-14)20-7-11-4-2-3-5-19-11/h6,8-11,19H,2-5,7,17H2,(H2,20,21,23,24).
What are the key properties of 2-N-(5-isocyanopyrazin-2-yl)-4-N-(piperidin-2-ylmethyl)pyridine-2,4,5-triamine?
2-N-(5-isocyanopyrazin-2-yl)-4-N-(piperidin-2-ylmethyl)pyridine-2,4,5-triamine has a molecular weight of 324.39 g/mol, XLogP of 2.30, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-isocyanopyrazin-2-yl)-4-N-(piperidin-2-ylmethyl)pyridine-2,4,5-triamine is sourced from PubChem (CID 59613521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).