6-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-1,3,3-trimethylindol-2-one

C19H26N6O — CID 169376401

IUPAC6-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-1,3,3-trimethylindol-2-one
SMILESCN1C(=O)C(C)(C)c2ccc(N3C(N)=NC(N)=NC34CCCCC4)cc21
InChIInChI=1S/C19H26N6O/c1-18(2)13-8-7-12(11-14(13)24(3)15(18)26)25-17(21)22-16(20)23-19(25)9-5-4-6-10-19/h7-8,11H,4-6,9-10H2,1-3H3,(H4,20,21,22,23)
InChIKeyVGLWYIXIHXNILO-UHFFFAOYSA-N
MW354.46 g/mol
LogP2.05
Rot. Bonds1

About 6-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-1,3,3-trimethylindol-2-one

6-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-1,3,3-trimethylindol-2-one (PubChem CID 169376401) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is 6-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-1,3,3-trimethylindol-2-one.

Molecular Properties

Compound Name6-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-1,3,3-trimethylindol-2-one
PubChem CID169376401
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC Name6-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-1,3,3-trimethylindol-2-one
SMILESCN1C(=O)C(C)(C)c2ccc(N3C(N)=NC(N)=NC34CCCCC4)cc21
InChIInChI=1S/C19H26N6O/c1-18(2)13-8-7-12(11-14(13)24(3)15(18)26)25-17(21)22-16(20)23-19(25)9-5-4-6-10-19/h7-8,11H,4-6,9-10H2,1-3H3,(H4,20,21,22,23)
InChIKeyVGLWYIXIHXNILO-UHFFFAOYSA-N
XLogP2.05
TPSA100.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-1,3,3-trimethylindol-2-one?
The IUPAC name of 6-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-1,3,3-trimethylindol-2-one (CID 169376401) is 6-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-1,3,3-trimethylindol-2-one.
What is the SMILES notation for 6-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-1,3,3-trimethylindol-2-one?
The canonical SMILES for 6-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-1,3,3-trimethylindol-2-one is CN1C(=O)C(C)(C)c2ccc(N3C(N)=NC(N)=NC34CCCCC4)cc21.
What is the InChIKey of 6-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-1,3,3-trimethylindol-2-one?
The InChIKey is VGLWYIXIHXNILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O/c1-18(2)13-8-7-12(11-14(13)24(3)15(18)26)25-17(21)22-16(20)23-19(25)9-5-4-6-10-19/h7-8,11H,4-6,9-10H2,1-3H3,(H4,20,21,22,23).
What are the key properties of 6-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-1,3,3-trimethylindol-2-one?
6-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-1,3,3-trimethylindol-2-one has a molecular weight of 354.46 g/mol, XLogP of 2.05, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-1,3,3-trimethylindol-2-one is sourced from PubChem (CID 169376401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).