5-quinoxalin-5-yl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine

C16H19N7 — CID 169375014

IUPAC5-quinoxalin-5-yl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
SMILESNC1=NC2(CCCCC2)N(c2cccc3nccnc23)C(N)=N1
InChIInChI=1S/C16H19N7/c17-14-21-15(18)23(16(22-14)7-2-1-3-8-16)12-6-4-5-11-13(12)20-10-9-19-11/h4-6,9-10H,1-3,7-8H2,(H4,17,18,21,22)
InChIKeyDNCSPQSEMSMPES-UHFFFAOYSA-N
MW309.38 g/mol
LogP1.74
Rot. Bonds1

About 5-quinoxalin-5-yl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine

5-quinoxalin-5-yl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine (PubChem CID 169375014) has the molecular formula C16H19N7 and a molecular weight of 309.38 g/mol. Its IUPAC name is 5-quinoxalin-5-yl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine.

Molecular Properties

Compound Name5-quinoxalin-5-yl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
PubChem CID169375014
Molecular FormulaC16H19N7
Molecular Weight309.38 g/mol
Exact Mass309.17
IUPAC Name5-quinoxalin-5-yl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
SMILESNC1=NC2(CCCCC2)N(c2cccc3nccnc23)C(N)=N1
InChIInChI=1S/C16H19N7/c17-14-21-15(18)23(16(22-14)7-2-1-3-8-16)12-6-4-5-11-13(12)20-10-9-19-11/h4-6,9-10H,1-3,7-8H2,(H4,17,18,21,22)
InChIKeyDNCSPQSEMSMPES-UHFFFAOYSA-N
XLogP1.74
TPSA105.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-quinoxalin-5-yl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?
The IUPAC name of 5-quinoxalin-5-yl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine (CID 169375014) is 5-quinoxalin-5-yl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine.
What is the SMILES notation for 5-quinoxalin-5-yl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?
The canonical SMILES for 5-quinoxalin-5-yl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine is NC1=NC2(CCCCC2)N(c2cccc3nccnc23)C(N)=N1.
What is the InChIKey of 5-quinoxalin-5-yl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?
The InChIKey is DNCSPQSEMSMPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7/c17-14-21-15(18)23(16(22-14)7-2-1-3-8-16)12-6-4-5-11-13(12)20-10-9-19-11/h4-6,9-10H,1-3,7-8H2,(H4,17,18,21,22).
What are the key properties of 5-quinoxalin-5-yl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?
5-quinoxalin-5-yl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine has a molecular weight of 309.38 g/mol, XLogP of 1.74, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-quinoxalin-5-yl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine is sourced from PubChem (CID 169375014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).