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

C14H17F2N5 — CID 752538

IUPAC4-N-(2,4-difluorophenyl)-1,3,5-triazaspiro[5.5]undeca-1,4-diene-2,4-diamine
SMILESNC1=NC2(CCCCC2)N=C(Nc2ccc(F)cc2F)N1
InChIInChI=1S/C14H17F2N5/c15-9-4-5-11(10(16)8-9)18-13-19-12(17)20-14(21-13)6-2-1-3-7-14/h4-5,8H,1-3,6-7H2,(H4,17,18,19,20,21)
InChIKeyQKECQVKVJSAPKO-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.31
Rot. Bonds1

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

4-N-(2,4-difluorophenyl)-1,3,5-triazaspiro[5.5]undeca-1,4-diene-2,4-diamine (PubChem CID 752538) has the molecular formula C14H17F2N5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 4-N-(2,4-difluorophenyl)-1,3,5-triazaspiro[5.5]undeca-1,4-diene-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,4-difluorophenyl)-1,3,5-triazaspiro[5.5]undeca-1,4-diene-2,4-diamine
PubChem CID752538
Molecular FormulaC14H17F2N5
Molecular Weight293.32 g/mol
Exact Mass293.15
IUPAC Name4-N-(2,4-difluorophenyl)-1,3,5-triazaspiro[5.5]undeca-1,4-diene-2,4-diamine
SMILESNC1=NC2(CCCCC2)N=C(Nc2ccc(F)cc2F)N1
InChIInChI=1S/C14H17F2N5/c15-9-4-5-11(10(16)8-9)18-13-19-12(17)20-14(21-13)6-2-1-3-7-14/h4-5,8H,1-3,6-7H2,(H4,17,18,19,20,21)
InChIKeyQKECQVKVJSAPKO-UHFFFAOYSA-N
XLogP2.31
TPSA74.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2,4-difluorophenyl)-1,3,5-triazaspiro[5.5]undeca-1,4-diene-2,4-diamine?
The IUPAC name of 4-N-(2,4-difluorophenyl)-1,3,5-triazaspiro[5.5]undeca-1,4-diene-2,4-diamine (CID 752538) is 4-N-(2,4-difluorophenyl)-1,3,5-triazaspiro[5.5]undeca-1,4-diene-2,4-diamine.
What is the SMILES notation for 4-N-(2,4-difluorophenyl)-1,3,5-triazaspiro[5.5]undeca-1,4-diene-2,4-diamine?
The canonical SMILES for 4-N-(2,4-difluorophenyl)-1,3,5-triazaspiro[5.5]undeca-1,4-diene-2,4-diamine is NC1=NC2(CCCCC2)N=C(Nc2ccc(F)cc2F)N1.
What is the InChIKey of 4-N-(2,4-difluorophenyl)-1,3,5-triazaspiro[5.5]undeca-1,4-diene-2,4-diamine?
The InChIKey is QKECQVKVJSAPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N5/c15-9-4-5-11(10(16)8-9)18-13-19-12(17)20-14(21-13)6-2-1-3-7-14/h4-5,8H,1-3,6-7H2,(H4,17,18,19,20,21).
What are the key properties of 4-N-(2,4-difluorophenyl)-1,3,5-triazaspiro[5.5]undeca-1,4-diene-2,4-diamine?
4-N-(2,4-difluorophenyl)-1,3,5-triazaspiro[5.5]undeca-1,4-diene-2,4-diamine has a molecular weight of 293.32 g/mol, XLogP of 2.31, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,4-difluorophenyl)-1,3,5-triazaspiro[5.5]undeca-1,4-diene-2,4-diamine is sourced from PubChem (CID 752538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).