5-(4-chlorophenyl)-10-methyl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine;hydrochloride

C15H21Cl2N5 — CID 3057052

IUPAC5-(4-chlorophenyl)-10-methyl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine;hydrochloride
SMILESCC1CCCC2(C1)N=C(N)N=C(N)N2c1ccc(Cl)cc1.Cl
InChIInChI=1S/C15H20ClN5.ClH/c1-10-3-2-8-15(9-10)20-13(17)19-14(18)21(15)12-6-4-11(16)5-7-12;/h4-7,10H,2-3,8-9H2,1H3,(H4,17,18,19,20);1H
InChIKeyOSSDNTWOLYKRRO-UHFFFAOYSA-N
MW342.27 g/mol
LogP3.12
Rot. Bonds1

About 5-(4-chlorophenyl)-10-methyl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine;hydrochloride

5-(4-chlorophenyl)-10-methyl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine;hydrochloride (PubChem CID 3057052) has the molecular formula C15H21Cl2N5 and a molecular weight of 342.27 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-10-methyl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name5-(4-chlorophenyl)-10-methyl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine;hydrochloride
PubChem CID3057052
Molecular FormulaC15H21Cl2N5
Molecular Weight342.27 g/mol
Exact Mass341.12
IUPAC Name5-(4-chlorophenyl)-10-methyl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine;hydrochloride
SMILESCC1CCCC2(C1)N=C(N)N=C(N)N2c1ccc(Cl)cc1.Cl
InChIInChI=1S/C15H20ClN5.ClH/c1-10-3-2-8-15(9-10)20-13(17)19-14(18)21(15)12-6-4-11(16)5-7-12;/h4-7,10H,2-3,8-9H2,1H3,(H4,17,18,19,20);1H
InChIKeyOSSDNTWOLYKRRO-UHFFFAOYSA-N
XLogP3.12
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.27
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-10-methyl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine;hydrochloride?
The IUPAC name of 5-(4-chlorophenyl)-10-methyl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine;hydrochloride (CID 3057052) is 5-(4-chlorophenyl)-10-methyl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine;hydrochloride.
What is the SMILES notation for 5-(4-chlorophenyl)-10-methyl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine;hydrochloride?
The canonical SMILES for 5-(4-chlorophenyl)-10-methyl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine;hydrochloride is CC1CCCC2(C1)N=C(N)N=C(N)N2c1ccc(Cl)cc1.Cl.
What is the InChIKey of 5-(4-chlorophenyl)-10-methyl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine;hydrochloride?
The InChIKey is OSSDNTWOLYKRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN5.ClH/c1-10-3-2-8-15(9-10)20-13(17)19-14(18)21(15)12-6-4-11(16)5-7-12;/h4-7,10H,2-3,8-9H2,1H3,(H4,17,18,19,20);1H.
What are the key properties of 5-(4-chlorophenyl)-10-methyl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine;hydrochloride?
5-(4-chlorophenyl)-10-methyl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine;hydrochloride has a molecular weight of 342.27 g/mol, XLogP of 3.12, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-10-methyl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine;hydrochloride is sourced from PubChem (CID 3057052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).