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

C20H21N5O — CID 169374124

IUPAC5-dibenzofuran-1-yl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
SMILESNC1=NC2(CCCCC2)N(c2cccc3oc4ccccc4c23)C(N)=N1
InChIInChI=1S/C20H21N5O/c21-18-23-19(22)25(20(24-18)11-4-1-5-12-20)14-8-6-10-16-17(14)13-7-2-3-9-15(13)26-16/h2-3,6-10H,1,4-5,11-12H2,(H4,21,22,23,24)
InChIKeyLMEGSABZJXHGSJ-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.70
Rot. Bonds1

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

5-dibenzofuran-1-yl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine (PubChem CID 169374124) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 5-dibenzofuran-1-yl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine.

Molecular Properties

Compound Name5-dibenzofuran-1-yl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
PubChem CID169374124
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name5-dibenzofuran-1-yl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
SMILESNC1=NC2(CCCCC2)N(c2cccc3oc4ccccc4c23)C(N)=N1
InChIInChI=1S/C20H21N5O/c21-18-23-19(22)25(20(24-18)11-4-1-5-12-20)14-8-6-10-16-17(14)13-7-2-3-9-15(13)26-16/h2-3,6-10H,1,4-5,11-12H2,(H4,21,22,23,24)
InChIKeyLMEGSABZJXHGSJ-UHFFFAOYSA-N
XLogP3.70
TPSA93.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-(piperidin-1-ylmethyl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169374226
5-(2,6-difluorophenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169373513
5-[2-(cyclopropylamino)-3-methylphenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169375399
5-[4-(4-methylphenyl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169375974
5-[2-(2-nitrophenyl)sulfanylphenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169378460
5-(4-bromo-2,3-dichlorophenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169373845
2-methylpropyl 2-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)benzoate
CID 169373936
5-(5-bromo-2-chlorophenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169373637
5-(2-fluoro-4-methylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169373563
methyl 3-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-2-ethylbenzoate
CID 141478019
ethyl 4-[2-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)benzoyl]piperazine-1-carboxylate
CID 169375810
5-(4-butyl-2-methylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169374022

Frequently Asked Questions

What is the IUPAC name of 5-dibenzofuran-1-yl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?
The IUPAC name of 5-dibenzofuran-1-yl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine (CID 169374124) is 5-dibenzofuran-1-yl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine.
What is the SMILES notation for 5-dibenzofuran-1-yl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?
The canonical SMILES for 5-dibenzofuran-1-yl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine is NC1=NC2(CCCCC2)N(c2cccc3oc4ccccc4c23)C(N)=N1.
What is the InChIKey of 5-dibenzofuran-1-yl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?
The InChIKey is LMEGSABZJXHGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c21-18-23-19(22)25(20(24-18)11-4-1-5-12-20)14-8-6-10-16-17(14)13-7-2-3-9-15(13)26-16/h2-3,6-10H,1,4-5,11-12H2,(H4,21,22,23,24).
What are the key properties of 5-dibenzofuran-1-yl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?
5-dibenzofuran-1-yl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine has a molecular weight of 347.42 g/mol, XLogP of 3.70, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-dibenzofuran-1-yl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine is sourced from PubChem (CID 169374124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).