10-(4-methoxyphenyl)-6,8,10-triazaspiro[4.5]deca-6,8-diene-7,9-diamine;hydrochloride

C14H20ClN5O — CID 6603575

IUPAC10-(4-methoxyphenyl)-6,8,10-triazaspiro[4.5]deca-6,8-diene-7,9-diamine;hydrochloride
SMILESCOc1ccc(N2C(N)=NC(N)=NC23CCCC3)cc1.Cl
InChIInChI=1S/C14H19N5O.ClH/c1-20-11-6-4-10(5-7-11)19-13(16)17-12(15)18-14(19)8-2-3-9-14;/h4-7H,2-3,8-9H2,1H3,(H4,15,16,17,18);1H
InChIKeySDBZXZGFXOQUBZ-UHFFFAOYSA-N
MW309.80 g/mol
LogP1.84
Rot. Bonds2

About 10-(4-methoxyphenyl)-6,8,10-triazaspiro[4.5]deca-6,8-diene-7,9-diamine;hydrochloride

10-(4-methoxyphenyl)-6,8,10-triazaspiro[4.5]deca-6,8-diene-7,9-diamine;hydrochloride (PubChem CID 6603575) has the molecular formula C14H20ClN5O and a molecular weight of 309.80 g/mol. Its IUPAC name is 10-(4-methoxyphenyl)-6,8,10-triazaspiro[4.5]deca-6,8-diene-7,9-diamine;hydrochloride.

Molecular Properties

Compound Name10-(4-methoxyphenyl)-6,8,10-triazaspiro[4.5]deca-6,8-diene-7,9-diamine;hydrochloride
PubChem CID6603575
Molecular FormulaC14H20ClN5O
Molecular Weight309.80 g/mol
Exact Mass309.14
IUPAC Name10-(4-methoxyphenyl)-6,8,10-triazaspiro[4.5]deca-6,8-diene-7,9-diamine;hydrochloride
SMILESCOc1ccc(N2C(N)=NC(N)=NC23CCCC3)cc1.Cl
InChIInChI=1S/C14H19N5O.ClH/c1-20-11-6-4-10(5-7-11)19-13(16)17-12(15)18-14(19)8-2-3-9-14;/h4-7H,2-3,8-9H2,1H3,(H4,15,16,17,18);1H
InChIKeySDBZXZGFXOQUBZ-UHFFFAOYSA-N
XLogP1.84
TPSA89.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 10-(4-methoxyphenyl)-6,8,10-triazaspiro[4.5]deca-6,8-diene-7,9-diamine;hydrochloride?
The IUPAC name of 10-(4-methoxyphenyl)-6,8,10-triazaspiro[4.5]deca-6,8-diene-7,9-diamine;hydrochloride (CID 6603575) is 10-(4-methoxyphenyl)-6,8,10-triazaspiro[4.5]deca-6,8-diene-7,9-diamine;hydrochloride.
What is the SMILES notation for 10-(4-methoxyphenyl)-6,8,10-triazaspiro[4.5]deca-6,8-diene-7,9-diamine;hydrochloride?
The canonical SMILES for 10-(4-methoxyphenyl)-6,8,10-triazaspiro[4.5]deca-6,8-diene-7,9-diamine;hydrochloride is COc1ccc(N2C(N)=NC(N)=NC23CCCC3)cc1.Cl.
What is the InChIKey of 10-(4-methoxyphenyl)-6,8,10-triazaspiro[4.5]deca-6,8-diene-7,9-diamine;hydrochloride?
The InChIKey is SDBZXZGFXOQUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O.ClH/c1-20-11-6-4-10(5-7-11)19-13(16)17-12(15)18-14(19)8-2-3-9-14;/h4-7H,2-3,8-9H2,1H3,(H4,15,16,17,18);1H.
What are the key properties of 10-(4-methoxyphenyl)-6,8,10-triazaspiro[4.5]deca-6,8-diene-7,9-diamine;hydrochloride?
10-(4-methoxyphenyl)-6,8,10-triazaspiro[4.5]deca-6,8-diene-7,9-diamine;hydrochloride has a molecular weight of 309.80 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-methoxyphenyl)-6,8,10-triazaspiro[4.5]deca-6,8-diene-7,9-diamine;hydrochloride is sourced from PubChem (CID 6603575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).