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

C16H23N5O2 — CID 2175986

IUPAC4-N-(2,5-dimethoxyphenyl)-1,3,5-triazaspiro[5.5]undeca-1,4-diene-2,4-diamine
SMILESCOc1ccc(OC)c(NC2=NC3(CCCCC3)N=C(N)N2)c1
InChIInChI=1S/C16H23N5O2/c1-22-11-6-7-13(23-2)12(10-11)18-15-19-14(17)20-16(21-15)8-4-3-5-9-16/h6-7,10H,3-5,8-9H2,1-2H3,(H4,17,18,19,20,21)
InChIKeySNRTYKYWDXOOJU-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.05
Rot. Bonds3

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

4-N-(2,5-dimethoxyphenyl)-1,3,5-triazaspiro[5.5]undeca-1,4-diene-2,4-diamine (PubChem CID 2175986) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 4-N-(2,5-dimethoxyphenyl)-1,3,5-triazaspiro[5.5]undeca-1,4-diene-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,5-dimethoxyphenyl)-1,3,5-triazaspiro[5.5]undeca-1,4-diene-2,4-diamine
PubChem CID2175986
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name4-N-(2,5-dimethoxyphenyl)-1,3,5-triazaspiro[5.5]undeca-1,4-diene-2,4-diamine
SMILESCOc1ccc(OC)c(NC2=NC3(CCCCC3)N=C(N)N2)c1
InChIInChI=1S/C16H23N5O2/c1-22-11-6-7-13(23-2)12(10-11)18-15-19-14(17)20-16(21-15)8-4-3-5-9-16/h6-7,10H,3-5,8-9H2,1-2H3,(H4,17,18,19,20,21)
InChIKeySNRTYKYWDXOOJU-UHFFFAOYSA-N
XLogP2.05
TPSA93.26 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2,5-dimethoxyphenyl)-1,3,5-triazaspiro[5.5]undeca-1,4-diene-2,4-diamine?
The IUPAC name of 4-N-(2,5-dimethoxyphenyl)-1,3,5-triazaspiro[5.5]undeca-1,4-diene-2,4-diamine (CID 2175986) is 4-N-(2,5-dimethoxyphenyl)-1,3,5-triazaspiro[5.5]undeca-1,4-diene-2,4-diamine.
What is the SMILES notation for 4-N-(2,5-dimethoxyphenyl)-1,3,5-triazaspiro[5.5]undeca-1,4-diene-2,4-diamine?
The canonical SMILES for 4-N-(2,5-dimethoxyphenyl)-1,3,5-triazaspiro[5.5]undeca-1,4-diene-2,4-diamine is COc1ccc(OC)c(NC2=NC3(CCCCC3)N=C(N)N2)c1.
What is the InChIKey of 4-N-(2,5-dimethoxyphenyl)-1,3,5-triazaspiro[5.5]undeca-1,4-diene-2,4-diamine?
The InChIKey is SNRTYKYWDXOOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-22-11-6-7-13(23-2)12(10-11)18-15-19-14(17)20-16(21-15)8-4-3-5-9-16/h6-7,10H,3-5,8-9H2,1-2H3,(H4,17,18,19,20,21).
What are the key properties of 4-N-(2,5-dimethoxyphenyl)-1,3,5-triazaspiro[5.5]undeca-1,4-diene-2,4-diamine?
4-N-(2,5-dimethoxyphenyl)-1,3,5-triazaspiro[5.5]undeca-1,4-diene-2,4-diamine has a molecular weight of 317.39 g/mol, XLogP of 2.05, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,5-dimethoxyphenyl)-1,3,5-triazaspiro[5.5]undeca-1,4-diene-2,4-diamine is sourced from PubChem (CID 2175986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).