5-phenyl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine;hydrochloride

C14H20ClN5 — CID 2843847

IUPAC5-phenyl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine;hydrochloride
SMILESCl.NC1=NC2(CCCCC2)N(c2ccccc2)C(N)=N1
InChIInChI=1S/C14H19N5.ClH/c15-12-17-13(16)19(11-7-3-1-4-8-11)14(18-12)9-5-2-6-10-14;/h1,3-4,7-8H,2,5-6,9-10H2,(H4,15,16,17,18);1H
InChIKeyVAQHCFKTRQBTSD-UHFFFAOYSA-N
MW293.80 g/mol
LogP2.22
Rot. Bonds1

About 5-phenyl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine;hydrochloride

5-phenyl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine;hydrochloride (PubChem CID 2843847) has the molecular formula C14H20ClN5 and a molecular weight of 293.80 g/mol. Its IUPAC name is 5-phenyl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name5-phenyl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine;hydrochloride
PubChem CID2843847
Molecular FormulaC14H20ClN5
Molecular Weight293.80 g/mol
Exact Mass293.14
IUPAC Name5-phenyl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine;hydrochloride
SMILESCl.NC1=NC2(CCCCC2)N(c2ccccc2)C(N)=N1
InChIInChI=1S/C14H19N5.ClH/c15-12-17-13(16)19(11-7-3-1-4-8-11)14(18-12)9-5-2-6-10-14;/h1,3-4,7-8H,2,5-6,9-10H2,(H4,15,16,17,18);1H
InChIKeyVAQHCFKTRQBTSD-UHFFFAOYSA-N
XLogP2.22
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine;hydrochloride?
The IUPAC name of 5-phenyl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine;hydrochloride (CID 2843847) is 5-phenyl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine;hydrochloride.
What is the SMILES notation for 5-phenyl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine;hydrochloride?
The canonical SMILES for 5-phenyl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine;hydrochloride is Cl.NC1=NC2(CCCCC2)N(c2ccccc2)C(N)=N1.
What is the InChIKey of 5-phenyl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine;hydrochloride?
The InChIKey is VAQHCFKTRQBTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5.ClH/c15-12-17-13(16)19(11-7-3-1-4-8-11)14(18-12)9-5-2-6-10-14;/h1,3-4,7-8H,2,5-6,9-10H2,(H4,15,16,17,18);1H.
What are the key properties of 5-phenyl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine;hydrochloride?
5-phenyl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine;hydrochloride has a molecular weight of 293.80 g/mol, XLogP of 2.22, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine;hydrochloride is sourced from PubChem (CID 2843847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).