8-(3-amino-5-chloro-2-methanimidoylphenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C14H16ClN5O2 — CID 121326921

IUPAC8-(3-amino-5-chloro-2-methanimidoylphenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILES[H]/N=C/c1c(N)cc(Cl)cc1N1CCC2(CC1)NC(=O)NC2=O
InChIInChI=1S/C14H16ClN5O2/c15-8-5-10(17)9(7-16)11(6-8)20-3-1-14(2-4-20)12(21)18-13(22)19-14/h5-7,16H,1-4,17H2,(H2,18,19,21,22)/b16-7+
InChIKeyORTPCAMQKKAPBX-FRKPEAEDSA-N
MW321.77 g/mol
LogP1.10
Rot. Bonds2

About 8-(3-amino-5-chloro-2-methanimidoylphenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-(3-amino-5-chloro-2-methanimidoylphenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 121326921) has the molecular formula C14H16ClN5O2 and a molecular weight of 321.77 g/mol. Its IUPAC name is 8-(3-amino-5-chloro-2-methanimidoylphenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-(3-amino-5-chloro-2-methanimidoylphenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID121326921
Molecular FormulaC14H16ClN5O2
Molecular Weight321.77 g/mol
Exact Mass321.10
IUPAC Name8-(3-amino-5-chloro-2-methanimidoylphenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILES[H]/N=C/c1c(N)cc(Cl)cc1N1CCC2(CC1)NC(=O)NC2=O
InChIInChI=1S/C14H16ClN5O2/c15-8-5-10(17)9(7-16)11(6-8)20-3-1-14(2-4-20)12(21)18-13(22)19-14/h5-7,16H,1-4,17H2,(H2,18,19,21,22)/b16-7+
InChIKeyORTPCAMQKKAPBX-FRKPEAEDSA-N
XLogP1.10
TPSA111.31 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.77
LogP ≤ 51.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 8-(3-amino-5-chloro-2-methanimidoylphenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(3-amino-5-chloro-2-methanimidoylphenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-(3-amino-5-chloro-2-methanimidoylphenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 121326921) is 8-(3-amino-5-chloro-2-methanimidoylphenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-(3-amino-5-chloro-2-methanimidoylphenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-(3-amino-5-chloro-2-methanimidoylphenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is [H]/N=C/c1c(N)cc(Cl)cc1N1CCC2(CC1)NC(=O)NC2=O.
What is the InChIKey of 8-(3-amino-5-chloro-2-methanimidoylphenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is ORTPCAMQKKAPBX-FRKPEAEDSA-N. The full InChI is InChI=1S/C14H16ClN5O2/c15-8-5-10(17)9(7-16)11(6-8)20-3-1-14(2-4-20)12(21)18-13(22)19-14/h5-7,16H,1-4,17H2,(H2,18,19,21,22)/b16-7+.
What are the key properties of 8-(3-amino-5-chloro-2-methanimidoylphenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-(3-amino-5-chloro-2-methanimidoylphenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 321.77 g/mol, XLogP of 1.10, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-amino-5-chloro-2-methanimidoylphenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 121326921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).