5-(5-bromo-2-chlorophenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine

C14H17BrClN5 — CID 169373637

IUPAC5-(5-bromo-2-chlorophenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
SMILESNC1=NC2(CCCCC2)N(c2cc(Br)ccc2Cl)C(N)=N1
InChIInChI=1S/C14H17BrClN5/c15-9-4-5-10(16)11(8-9)21-13(18)19-12(17)20-14(21)6-2-1-3-7-14/h4-5,8H,1-3,6-7H2,(H4,17,18,19,20)
InChIKeyPHOIMRDCHPCHOF-UHFFFAOYSA-N
MW370.68 g/mol
LogP3.21
Rot. Bonds1

About 5-(5-bromo-2-chlorophenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine

5-(5-bromo-2-chlorophenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine (PubChem CID 169373637) has the molecular formula C14H17BrClN5 and a molecular weight of 370.68 g/mol. Its IUPAC name is 5-(5-bromo-2-chlorophenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine.

Molecular Properties

Compound Name5-(5-bromo-2-chlorophenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
PubChem CID169373637
Molecular FormulaC14H17BrClN5
Molecular Weight370.68 g/mol
Exact Mass369.04
IUPAC Name5-(5-bromo-2-chlorophenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
SMILESNC1=NC2(CCCCC2)N(c2cc(Br)ccc2Cl)C(N)=N1
InChIInChI=1S/C14H17BrClN5/c15-9-4-5-10(16)11(8-9)21-13(18)19-12(17)20-14(21)6-2-1-3-7-14/h4-5,8H,1-3,6-7H2,(H4,17,18,19,20)
InChIKeyPHOIMRDCHPCHOF-UHFFFAOYSA-N
XLogP3.21
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.68
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-2-chlorophenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?
The IUPAC name of 5-(5-bromo-2-chlorophenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine (CID 169373637) is 5-(5-bromo-2-chlorophenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine.
What is the SMILES notation for 5-(5-bromo-2-chlorophenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?
The canonical SMILES for 5-(5-bromo-2-chlorophenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine is NC1=NC2(CCCCC2)N(c2cc(Br)ccc2Cl)C(N)=N1.
What is the InChIKey of 5-(5-bromo-2-chlorophenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?
The InChIKey is PHOIMRDCHPCHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClN5/c15-9-4-5-10(16)11(8-9)21-13(18)19-12(17)20-14(21)6-2-1-3-7-14/h4-5,8H,1-3,6-7H2,(H4,17,18,19,20).
What are the key properties of 5-(5-bromo-2-chlorophenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?
5-(5-bromo-2-chlorophenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine has a molecular weight of 370.68 g/mol, XLogP of 3.21, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-2-chlorophenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine is sourced from PubChem (CID 169373637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).