spiro[1H-[1,3,5]triazino[1,2-a]benzimidazole-4,1'-cycloheptane]-2-amine

C15H19N5 — CID 3425625

IUPACspiro[1H-[1,3,5]triazino[1,2-a]benzimidazole-4,1'-cycloheptane]-2-amine
SMILESNC1=NC2(CCCCCC2)n2c(nc3ccccc32)N1
InChIInChI=1S/C15H19N5/c16-13-18-14-17-11-7-3-4-8-12(11)20(14)15(19-13)9-5-1-2-6-10-15/h3-4,7-8H,1-2,5-6,9-10H2,(H3,16,17,18,19)
InChIKeyUTWXPHLUMHMQCU-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.78
Rot. Bonds

About spiro[1H-[1,3,5]triazino[1,2-a]benzimidazole-4,1'-cycloheptane]-2-amine

spiro[1H-[1,3,5]triazino[1,2-a]benzimidazole-4,1'-cycloheptane]-2-amine (PubChem CID 3425625) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is spiro[1H-[1,3,5]triazino[1,2-a]benzimidazole-4,1'-cycloheptane]-2-amine.

Molecular Properties

Compound Namespiro[1H-[1,3,5]triazino[1,2-a]benzimidazole-4,1'-cycloheptane]-2-amine
PubChem CID3425625
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC Namespiro[1H-[1,3,5]triazino[1,2-a]benzimidazole-4,1'-cycloheptane]-2-amine
SMILESNC1=NC2(CCCCCC2)n2c(nc3ccccc32)N1
InChIInChI=1S/C15H19N5/c16-13-18-14-17-11-7-3-4-8-12(11)20(14)15(19-13)9-5-1-2-6-10-15/h3-4,7-8H,1-2,5-6,9-10H2,(H3,16,17,18,19)
InChIKeyUTWXPHLUMHMQCU-UHFFFAOYSA-N
XLogP2.78
TPSA68.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze spiro[1H-[1,3,5]triazino[1,2-a]benzimidazole-4,1'-cycloheptane]-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

2-aminospiro[1H-pyrimido[1,2-a]benzimidazole-4,1'-cyclopentane]-3-carbonitrile
CID 137147616
1'-benzylspiro[4,8-dioxa-12,14,16,18-tetrazatetracyclo[9.7.0.03,9.012,17]octadeca-1,3(9),10,14,17-pentaene-13,4'-piperidine]-15-amine
CID 135591394
1-[[1-[(2-aminobenzimidazol-1-yl)methyl]cyclohexyl]methyl]benzimidazol-2-amine
CID 70205884
2-amino-1'-pentylspiro[1H-[1,3,5]triazino[1,2-a]benzimidazole-4,3'-indole]-2'-one
CID 135762324
2-amino-1'-ethyl-5'-methylspiro[1H-[1,3,5]triazino[1,2-a]benzimidazole-4,3'-indole]-2'-one
CID 135616501
1-[(2-aminobenzimidazol-1-yl)methyl]cyclopentan-1-ol
CID 126846264
(3R,12aR)-3-phenylspiro[2,3,5,12a-tetrahydrobenzimidazolo[2,1-b]quinazoline-12,1'-cyclohexane]-1-one
CID 7006238
4-(2-pyrrolidin-1-ylphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 135812562
(4S)-4-(2-chlorophenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 941141
4-[(E)-2-phenylethenyl]-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 135587492
(4R)-4-(2-fluorophenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 136683267
(4R)-4-(4-chlorophenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 901239

Frequently Asked Questions

What is the IUPAC name of spiro[1H-[1,3,5]triazino[1,2-a]benzimidazole-4,1'-cycloheptane]-2-amine?
The IUPAC name of spiro[1H-[1,3,5]triazino[1,2-a]benzimidazole-4,1'-cycloheptane]-2-amine (CID 3425625) is spiro[1H-[1,3,5]triazino[1,2-a]benzimidazole-4,1'-cycloheptane]-2-amine.
What is the SMILES notation for spiro[1H-[1,3,5]triazino[1,2-a]benzimidazole-4,1'-cycloheptane]-2-amine?
The canonical SMILES for spiro[1H-[1,3,5]triazino[1,2-a]benzimidazole-4,1'-cycloheptane]-2-amine is NC1=NC2(CCCCCC2)n2c(nc3ccccc32)N1.
What is the InChIKey of spiro[1H-[1,3,5]triazino[1,2-a]benzimidazole-4,1'-cycloheptane]-2-amine?
The InChIKey is UTWXPHLUMHMQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5/c16-13-18-14-17-11-7-3-4-8-12(11)20(14)15(19-13)9-5-1-2-6-10-15/h3-4,7-8H,1-2,5-6,9-10H2,(H3,16,17,18,19).
What are the key properties of spiro[1H-[1,3,5]triazino[1,2-a]benzimidazole-4,1'-cycloheptane]-2-amine?
spiro[1H-[1,3,5]triazino[1,2-a]benzimidazole-4,1'-cycloheptane]-2-amine has a molecular weight of 269.35 g/mol, XLogP of 2.78, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1H-[1,3,5]triazino[1,2-a]benzimidazole-4,1'-cycloheptane]-2-amine is sourced from PubChem (CID 3425625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).