9-phenylmethoxy-5,7,9-triazaspiro[3.5]nona-5,7-diene-6,8-diamine;hydrochloride

C13H18ClN5O — CID 56675435

IUPAC9-phenylmethoxy-5,7,9-triazaspiro[3.5]nona-5,7-diene-6,8-diamine;hydrochloride
SMILESCl.NC1=NC2(CCC2)N(OCc2ccccc2)C(N)=N1
InChIInChI=1S/C13H17N5O.ClH/c14-11-16-12(15)18(13(17-11)7-4-8-13)19-9-10-5-2-1-3-6-10;/h1-3,5-6H,4,7-9H2,(H4,14,15,16,17);1H
InChIKeyGSNBRMVBQQXZNQ-UHFFFAOYSA-N
MW295.77 g/mol
LogP1.37
Rot. Bonds3

About 9-phenylmethoxy-5,7,9-triazaspiro[3.5]nona-5,7-diene-6,8-diamine;hydrochloride

9-phenylmethoxy-5,7,9-triazaspiro[3.5]nona-5,7-diene-6,8-diamine;hydrochloride (PubChem CID 56675435) has the molecular formula C13H18ClN5O and a molecular weight of 295.77 g/mol. Its IUPAC name is 9-phenylmethoxy-5,7,9-triazaspiro[3.5]nona-5,7-diene-6,8-diamine;hydrochloride.

Molecular Properties

Compound Name9-phenylmethoxy-5,7,9-triazaspiro[3.5]nona-5,7-diene-6,8-diamine;hydrochloride
PubChem CID56675435
Molecular FormulaC13H18ClN5O
Molecular Weight295.77 g/mol
Exact Mass295.12
IUPAC Name9-phenylmethoxy-5,7,9-triazaspiro[3.5]nona-5,7-diene-6,8-diamine;hydrochloride
SMILESCl.NC1=NC2(CCC2)N(OCc2ccccc2)C(N)=N1
InChIInChI=1S/C13H17N5O.ClH/c14-11-16-12(15)18(13(17-11)7-4-8-13)19-9-10-5-2-1-3-6-10;/h1-3,5-6H,4,7-9H2,(H4,14,15,16,17);1H
InChIKeyGSNBRMVBQQXZNQ-UHFFFAOYSA-N
XLogP1.37
TPSA89.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-phenylmethoxy-5,7,9-triazaspiro[3.5]nona-5,7-diene-6,8-diamine;hydrochloride?
The IUPAC name of 9-phenylmethoxy-5,7,9-triazaspiro[3.5]nona-5,7-diene-6,8-diamine;hydrochloride (CID 56675435) is 9-phenylmethoxy-5,7,9-triazaspiro[3.5]nona-5,7-diene-6,8-diamine;hydrochloride.
What is the SMILES notation for 9-phenylmethoxy-5,7,9-triazaspiro[3.5]nona-5,7-diene-6,8-diamine;hydrochloride?
The canonical SMILES for 9-phenylmethoxy-5,7,9-triazaspiro[3.5]nona-5,7-diene-6,8-diamine;hydrochloride is Cl.NC1=NC2(CCC2)N(OCc2ccccc2)C(N)=N1.
What is the InChIKey of 9-phenylmethoxy-5,7,9-triazaspiro[3.5]nona-5,7-diene-6,8-diamine;hydrochloride?
The InChIKey is GSNBRMVBQQXZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O.ClH/c14-11-16-12(15)18(13(17-11)7-4-8-13)19-9-10-5-2-1-3-6-10;/h1-3,5-6H,4,7-9H2,(H4,14,15,16,17);1H.
What are the key properties of 9-phenylmethoxy-5,7,9-triazaspiro[3.5]nona-5,7-diene-6,8-diamine;hydrochloride?
9-phenylmethoxy-5,7,9-triazaspiro[3.5]nona-5,7-diene-6,8-diamine;hydrochloride has a molecular weight of 295.77 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenylmethoxy-5,7,9-triazaspiro[3.5]nona-5,7-diene-6,8-diamine;hydrochloride is sourced from PubChem (CID 56675435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).