5-quinolin-6-yl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine

C17H20N6 — CID 169373654

IUPAC5-quinolin-6-yl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
SMILESNC1=NC2(CCCCC2)N(c2ccc3ncccc3c2)C(N)=N1
InChIInChI=1S/C17H20N6/c18-15-21-16(19)23(17(22-15)8-2-1-3-9-17)13-6-7-14-12(11-13)5-4-10-20-14/h4-7,10-11H,1-3,8-9H2,(H4,18,19,21,22)
InChIKeyCXXHJHZNEPWQFX-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.34
Rot. Bonds1

About 5-quinolin-6-yl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine

5-quinolin-6-yl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine (PubChem CID 169373654) has the molecular formula C17H20N6 and a molecular weight of 308.39 g/mol. Its IUPAC name is 5-quinolin-6-yl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine.

Molecular Properties

Compound Name5-quinolin-6-yl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
PubChem CID169373654
Molecular FormulaC17H20N6
Molecular Weight308.39 g/mol
Exact Mass308.17
IUPAC Name5-quinolin-6-yl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
SMILESNC1=NC2(CCCCC2)N(c2ccc3ncccc3c2)C(N)=N1
InChIInChI=1S/C17H20N6/c18-15-21-16(19)23(17(22-15)8-2-1-3-9-17)13-6-7-14-12(11-13)5-4-10-20-14/h4-7,10-11H,1-3,8-9H2,(H4,18,19,21,22)
InChIKeyCXXHJHZNEPWQFX-UHFFFAOYSA-N
XLogP2.34
TPSA92.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-2-naphthalen-2-ylisoindole-1,3-dione
CID 169377026
5-(4-bromophenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine chloride
CID 21177168
5-phenyl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine;hydrochloride
CID 2843847
5-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-2-methylphenol
CID 169378253
5-(2-ethyl-3H-benzimidazol-5-yl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169375091
5-[3-(1H-imidazol-2-yl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169378203
5-(4-tritylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169378313
5-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-N,N-dimethyl-1-benzothiophene-2-carboxamide
CID 169375125
5-(4-carbazol-9-ylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169374839
4-[3-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]-1,2-dimethyl-1,2,4-triazolidine-3,5-dione
CID 169377651
5-[3-(1,3-benzoxazol-2-yl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169376089
5-(3-butoxyphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169374690

Frequently Asked Questions

What is the IUPAC name of 5-quinolin-6-yl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?
The IUPAC name of 5-quinolin-6-yl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine (CID 169373654) is 5-quinolin-6-yl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine.
What is the SMILES notation for 5-quinolin-6-yl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?
The canonical SMILES for 5-quinolin-6-yl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine is NC1=NC2(CCCCC2)N(c2ccc3ncccc3c2)C(N)=N1.
What is the InChIKey of 5-quinolin-6-yl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?
The InChIKey is CXXHJHZNEPWQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6/c18-15-21-16(19)23(17(22-15)8-2-1-3-9-17)13-6-7-14-12(11-13)5-4-10-20-14/h4-7,10-11H,1-3,8-9H2,(H4,18,19,21,22).
What are the key properties of 5-quinolin-6-yl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?
5-quinolin-6-yl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine has a molecular weight of 308.39 g/mol, XLogP of 2.34, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-quinolin-6-yl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine is sourced from PubChem (CID 169373654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).