10-(4-methoxyphenyl)-6,8,10-triazaspiro[4.5]deca-6,8-diene-7,9-diamine

C14H19N5O — CID 3241249

IUPAC10-(4-methoxyphenyl)-6,8,10-triazaspiro[4.5]deca-6,8-diene-7,9-diamine
SMILESCOc1ccc(N2C(N)=NC(N)=NC23CCCC3)cc1
InChIInChI=1S/C14H19N5O/c1-20-11-6-4-10(5-7-11)19-13(16)17-12(15)18-14(19)8-2-3-9-14/h4-7H,2-3,8-9H2,1H3,(H4,15,16,17,18)
InChIKeyIJGFJERBVMWCDY-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.41
Rot. Bonds2

About 10-(4-methoxyphenyl)-6,8,10-triazaspiro[4.5]deca-6,8-diene-7,9-diamine

10-(4-methoxyphenyl)-6,8,10-triazaspiro[4.5]deca-6,8-diene-7,9-diamine (PubChem CID 3241249) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 10-(4-methoxyphenyl)-6,8,10-triazaspiro[4.5]deca-6,8-diene-7,9-diamine.

Molecular Properties

Compound Name10-(4-methoxyphenyl)-6,8,10-triazaspiro[4.5]deca-6,8-diene-7,9-diamine
PubChem CID3241249
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name10-(4-methoxyphenyl)-6,8,10-triazaspiro[4.5]deca-6,8-diene-7,9-diamine
SMILESCOc1ccc(N2C(N)=NC(N)=NC23CCCC3)cc1
InChIInChI=1S/C14H19N5O/c1-20-11-6-4-10(5-7-11)19-13(16)17-12(15)18-14(19)8-2-3-9-14/h4-7H,2-3,8-9H2,1H3,(H4,15,16,17,18)
InChIKeyIJGFJERBVMWCDY-UHFFFAOYSA-N
XLogP1.41
TPSA89.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 10-(4-methoxyphenyl)-6,8,10-triazaspiro[4.5]deca-6,8-diene-7,9-diamine?
The IUPAC name of 10-(4-methoxyphenyl)-6,8,10-triazaspiro[4.5]deca-6,8-diene-7,9-diamine (CID 3241249) is 10-(4-methoxyphenyl)-6,8,10-triazaspiro[4.5]deca-6,8-diene-7,9-diamine.
What is the SMILES notation for 10-(4-methoxyphenyl)-6,8,10-triazaspiro[4.5]deca-6,8-diene-7,9-diamine?
The canonical SMILES for 10-(4-methoxyphenyl)-6,8,10-triazaspiro[4.5]deca-6,8-diene-7,9-diamine is COc1ccc(N2C(N)=NC(N)=NC23CCCC3)cc1.
What is the InChIKey of 10-(4-methoxyphenyl)-6,8,10-triazaspiro[4.5]deca-6,8-diene-7,9-diamine?
The InChIKey is IJGFJERBVMWCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-20-11-6-4-10(5-7-11)19-13(16)17-12(15)18-14(19)8-2-3-9-14/h4-7H,2-3,8-9H2,1H3,(H4,15,16,17,18).
What are the key properties of 10-(4-methoxyphenyl)-6,8,10-triazaspiro[4.5]deca-6,8-diene-7,9-diamine?
10-(4-methoxyphenyl)-6,8,10-triazaspiro[4.5]deca-6,8-diene-7,9-diamine has a molecular weight of 273.34 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-methoxyphenyl)-6,8,10-triazaspiro[4.5]deca-6,8-diene-7,9-diamine is sourced from PubChem (CID 3241249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).