2-N-[(2S)-pentan-2-yl]-7-N-piperidin-4-ylimidazo[2,1-f][1,2,4]triazine-2,4,7-triamine

C15H26N8 — CID 167097417

IUPAC2-N-[(2S)-pentan-2-yl]-7-N-piperidin-4-ylimidazo[2,1-f][1,2,4]triazine-2,4,7-triamine
SMILESCCC[C@H](C)Nc1nc(N)c2ncc(NC3CCNCC3)n2n1
InChIInChI=1S/C15H26N8/c1-3-4-10(2)19-15-21-13(16)14-18-9-12(23(14)22-15)20-11-5-7-17-8-6-11/h9-11,17,20H,3-8H2,1-2H3,(H3,16,19,21,22)/t10-/m0/s1
InChIKeyAKDOHSVZGOGFOM-JTQLQIEISA-N
MW318.43 g/mol
LogP1.47
Rot. Bonds6

About 2-N-[(2S)-pentan-2-yl]-7-N-piperidin-4-ylimidazo[2,1-f][1,2,4]triazine-2,4,7-triamine

2-N-[(2S)-pentan-2-yl]-7-N-piperidin-4-ylimidazo[2,1-f][1,2,4]triazine-2,4,7-triamine (PubChem CID 167097417) has the molecular formula C15H26N8 and a molecular weight of 318.43 g/mol. Its IUPAC name is 2-N-[(2S)-pentan-2-yl]-7-N-piperidin-4-ylimidazo[2,1-f][1,2,4]triazine-2,4,7-triamine.

Molecular Properties

Compound Name2-N-[(2S)-pentan-2-yl]-7-N-piperidin-4-ylimidazo[2,1-f][1,2,4]triazine-2,4,7-triamine
PubChem CID167097417
Molecular FormulaC15H26N8
Molecular Weight318.43 g/mol
Exact Mass318.23
IUPAC Name2-N-[(2S)-pentan-2-yl]-7-N-piperidin-4-ylimidazo[2,1-f][1,2,4]triazine-2,4,7-triamine
SMILESCCC[C@H](C)Nc1nc(N)c2ncc(NC3CCNCC3)n2n1
InChIInChI=1S/C15H26N8/c1-3-4-10(2)19-15-21-13(16)14-18-9-12(23(14)22-15)20-11-5-7-17-8-6-11/h9-11,17,20H,3-8H2,1-2H3,(H3,16,19,21,22)/t10-/m0/s1
InChIKeyAKDOHSVZGOGFOM-JTQLQIEISA-N
XLogP1.47
TPSA105.19 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.43
LogP ≤ 51.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_6_tetrazine(18)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(2S)-pentan-2-yl]-7-N-piperidin-4-ylimidazo[2,1-f][1,2,4]triazine-2,4,7-triamine?
The IUPAC name of 2-N-[(2S)-pentan-2-yl]-7-N-piperidin-4-ylimidazo[2,1-f][1,2,4]triazine-2,4,7-triamine (CID 167097417) is 2-N-[(2S)-pentan-2-yl]-7-N-piperidin-4-ylimidazo[2,1-f][1,2,4]triazine-2,4,7-triamine.
What is the SMILES notation for 2-N-[(2S)-pentan-2-yl]-7-N-piperidin-4-ylimidazo[2,1-f][1,2,4]triazine-2,4,7-triamine?
The canonical SMILES for 2-N-[(2S)-pentan-2-yl]-7-N-piperidin-4-ylimidazo[2,1-f][1,2,4]triazine-2,4,7-triamine is CCC[C@H](C)Nc1nc(N)c2ncc(NC3CCNCC3)n2n1.
What is the InChIKey of 2-N-[(2S)-pentan-2-yl]-7-N-piperidin-4-ylimidazo[2,1-f][1,2,4]triazine-2,4,7-triamine?
The InChIKey is AKDOHSVZGOGFOM-JTQLQIEISA-N. The full InChI is InChI=1S/C15H26N8/c1-3-4-10(2)19-15-21-13(16)14-18-9-12(23(14)22-15)20-11-5-7-17-8-6-11/h9-11,17,20H,3-8H2,1-2H3,(H3,16,19,21,22)/t10-/m0/s1.
What are the key properties of 2-N-[(2S)-pentan-2-yl]-7-N-piperidin-4-ylimidazo[2,1-f][1,2,4]triazine-2,4,7-triamine?
2-N-[(2S)-pentan-2-yl]-7-N-piperidin-4-ylimidazo[2,1-f][1,2,4]triazine-2,4,7-triamine has a molecular weight of 318.43 g/mol, XLogP of 1.47, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2S)-pentan-2-yl]-7-N-piperidin-4-ylimidazo[2,1-f][1,2,4]triazine-2,4,7-triamine is sourced from PubChem (CID 167097417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).