[7-(4-amino-6-ethyl-1,3,5-triazin-2-yl)-2,7-diazaspiro[4.4]nonan-2-yl]-spiro[2.3]hexan-2-ylmethanone

C19H28N6O — CID 154855574

IUPAC[7-(4-amino-6-ethyl-1,3,5-triazin-2-yl)-2,7-diazaspiro[4.4]nonan-2-yl]-spiro[2.3]hexan-2-ylmethanone
SMILESCCc1nc(N)nc(N2CCC3(CCN(C(=O)C4CC45CCC5)C3)C2)n1
InChIInChI=1S/C19H28N6O/c1-2-14-21-16(20)23-17(22-14)25-9-7-18(12-25)6-8-24(11-18)15(26)13-10-19(13)4-3-5-19/h13H,2-12H2,1H3,(H2,20,21,22,23)
InChIKeyNJUPRUJHVQYKTI-UHFFFAOYSA-N
MW356.47 g/mol
LogP1.64
Rot. Bonds3

About [7-(4-amino-6-ethyl-1,3,5-triazin-2-yl)-2,7-diazaspiro[4.4]nonan-2-yl]-spiro[2.3]hexan-2-ylmethanone

[7-(4-amino-6-ethyl-1,3,5-triazin-2-yl)-2,7-diazaspiro[4.4]nonan-2-yl]-spiro[2.3]hexan-2-ylmethanone (PubChem CID 154855574) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is [7-(4-amino-6-ethyl-1,3,5-triazin-2-yl)-2,7-diazaspiro[4.4]nonan-2-yl]-spiro[2.3]hexan-2-ylmethanone.

Molecular Properties

Compound Name[7-(4-amino-6-ethyl-1,3,5-triazin-2-yl)-2,7-diazaspiro[4.4]nonan-2-yl]-spiro[2.3]hexan-2-ylmethanone
PubChem CID154855574
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC Name[7-(4-amino-6-ethyl-1,3,5-triazin-2-yl)-2,7-diazaspiro[4.4]nonan-2-yl]-spiro[2.3]hexan-2-ylmethanone
SMILESCCc1nc(N)nc(N2CCC3(CCN(C(=O)C4CC45CCC5)C3)C2)n1
InChIInChI=1S/C19H28N6O/c1-2-14-21-16(20)23-17(22-14)25-9-7-18(12-25)6-8-24(11-18)15(26)13-10-19(13)4-3-5-19/h13H,2-12H2,1H3,(H2,20,21,22,23)
InChIKeyNJUPRUJHVQYKTI-UHFFFAOYSA-N
XLogP1.64
TPSA88.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [7-(4-amino-6-ethyl-1,3,5-triazin-2-yl)-2,7-diazaspiro[4.4]nonan-2-yl]-spiro[2.3]hexan-2-ylmethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [7-(4-amino-6-ethyl-1,3,5-triazin-2-yl)-2,7-diazaspiro[4.4]nonan-2-yl]-spiro[2.3]hexan-2-ylmethanone?
The IUPAC name of [7-(4-amino-6-ethyl-1,3,5-triazin-2-yl)-2,7-diazaspiro[4.4]nonan-2-yl]-spiro[2.3]hexan-2-ylmethanone (CID 154855574) is [7-(4-amino-6-ethyl-1,3,5-triazin-2-yl)-2,7-diazaspiro[4.4]nonan-2-yl]-spiro[2.3]hexan-2-ylmethanone.
What is the SMILES notation for [7-(4-amino-6-ethyl-1,3,5-triazin-2-yl)-2,7-diazaspiro[4.4]nonan-2-yl]-spiro[2.3]hexan-2-ylmethanone?
The canonical SMILES for [7-(4-amino-6-ethyl-1,3,5-triazin-2-yl)-2,7-diazaspiro[4.4]nonan-2-yl]-spiro[2.3]hexan-2-ylmethanone is CCc1nc(N)nc(N2CCC3(CCN(C(=O)C4CC45CCC5)C3)C2)n1.
What is the InChIKey of [7-(4-amino-6-ethyl-1,3,5-triazin-2-yl)-2,7-diazaspiro[4.4]nonan-2-yl]-spiro[2.3]hexan-2-ylmethanone?
The InChIKey is NJUPRUJHVQYKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O/c1-2-14-21-16(20)23-17(22-14)25-9-7-18(12-25)6-8-24(11-18)15(26)13-10-19(13)4-3-5-19/h13H,2-12H2,1H3,(H2,20,21,22,23).
What are the key properties of [7-(4-amino-6-ethyl-1,3,5-triazin-2-yl)-2,7-diazaspiro[4.4]nonan-2-yl]-spiro[2.3]hexan-2-ylmethanone?
[7-(4-amino-6-ethyl-1,3,5-triazin-2-yl)-2,7-diazaspiro[4.4]nonan-2-yl]-spiro[2.3]hexan-2-ylmethanone has a molecular weight of 356.47 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(4-amino-6-ethyl-1,3,5-triazin-2-yl)-2,7-diazaspiro[4.4]nonan-2-yl]-spiro[2.3]hexan-2-ylmethanone is sourced from PubChem (CID 154855574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).