2-amino-1'-ethyl-5'-methylspiro[1H-[1,3,5]triazino[1,2-a]benzimidazole-4,3'-indole]-2'-one

C19H18N6O — CID 135616501

IUPAC2-amino-1'-ethyl-5'-methylspiro[1H-[1,3,5]triazino[1,2-a]benzimidazole-4,3'-indole]-2'-one
SMILESCCN1C(=O)C2(N=C(N)Nc3nc4ccccc4n32)c2cc(C)ccc21
InChIInChI=1S/C19H18N6O/c1-3-24-14-9-8-11(2)10-12(14)19(16(24)26)23-17(20)22-18-21-13-6-4-5-7-15(13)25(18)19/h4-10H,3H2,1-2H3,(H3,20,21,22,23)
InChIKeyJHJZJMCTWLCKMD-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.15
Rot. Bonds1

About 2-amino-1'-ethyl-5'-methylspiro[1H-[1,3,5]triazino[1,2-a]benzimidazole-4,3'-indole]-2'-one

2-amino-1'-ethyl-5'-methylspiro[1H-[1,3,5]triazino[1,2-a]benzimidazole-4,3'-indole]-2'-one (PubChem CID 135616501) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-amino-1'-ethyl-5'-methylspiro[1H-[1,3,5]triazino[1,2-a]benzimidazole-4,3'-indole]-2'-one.

Molecular Properties

Compound Name2-amino-1'-ethyl-5'-methylspiro[1H-[1,3,5]triazino[1,2-a]benzimidazole-4,3'-indole]-2'-one
PubChem CID135616501
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC Name2-amino-1'-ethyl-5'-methylspiro[1H-[1,3,5]triazino[1,2-a]benzimidazole-4,3'-indole]-2'-one
SMILESCCN1C(=O)C2(N=C(N)Nc3nc4ccccc4n32)c2cc(C)ccc21
InChIInChI=1S/C19H18N6O/c1-3-24-14-9-8-11(2)10-12(14)19(16(24)26)23-17(20)22-18-21-13-6-4-5-7-15(13)25(18)19/h4-10H,3H2,1-2H3,(H3,20,21,22,23)
InChIKeyJHJZJMCTWLCKMD-UHFFFAOYSA-N
XLogP2.15
TPSA88.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-1'-pentylspiro[1H-[1,3,5]triazino[1,2-a]benzimidazole-4,3'-indole]-2'-one
CID 135762324
5'-bromo-1'-ethylspiro[5H-benzimidazolo[1,2-c]quinazoline-6,3'-indole]-2'-one
CID 3578642
N-[1'-ethyl-1-(2-methylpropanoyl)-2'-oxospiro[[1,3,5]triazino[1,2-a]benzimidazole-4,3'-indole]-2-yl]-2-methylpropanamide
CID 17121819
spiro[1H-[1,3,5]triazino[1,2-a]benzimidazole-4,1'-cycloheptane]-2-amine
CID 3425625
7-methyl-4-phenyl-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 135399887
(4R)-4-(3-methylphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 136744858
ethyl 4-(3-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-3-carboxylate
CID 135616400
ethyl (3R,4R)-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-3-carboxylate
CID 135934062
ethyl (3S,4S)-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-3-carboxylate
CID 135934061
1-ethyl-4,4,6-trimethyl-3,1-benzoxazin-2-one
CID 141173074
1-ethyl-3-hydroxy-3-[(3-methoxy-2-pyridinyl)methyl]-5-methylindol-2-one
CID 86300399
N-(2-fluoro-4-methylphenyl)-2-(2-oxo-1,3-dihydroimidazo[1,2-a]benzimidazol-1-yl)acetamide
CID 135646863

Frequently Asked Questions

What is the IUPAC name of 2-amino-1'-ethyl-5'-methylspiro[1H-[1,3,5]triazino[1,2-a]benzimidazole-4,3'-indole]-2'-one?
The IUPAC name of 2-amino-1'-ethyl-5'-methylspiro[1H-[1,3,5]triazino[1,2-a]benzimidazole-4,3'-indole]-2'-one (CID 135616501) is 2-amino-1'-ethyl-5'-methylspiro[1H-[1,3,5]triazino[1,2-a]benzimidazole-4,3'-indole]-2'-one.
What is the SMILES notation for 2-amino-1'-ethyl-5'-methylspiro[1H-[1,3,5]triazino[1,2-a]benzimidazole-4,3'-indole]-2'-one?
The canonical SMILES for 2-amino-1'-ethyl-5'-methylspiro[1H-[1,3,5]triazino[1,2-a]benzimidazole-4,3'-indole]-2'-one is CCN1C(=O)C2(N=C(N)Nc3nc4ccccc4n32)c2cc(C)ccc21.
What is the InChIKey of 2-amino-1'-ethyl-5'-methylspiro[1H-[1,3,5]triazino[1,2-a]benzimidazole-4,3'-indole]-2'-one?
The InChIKey is JHJZJMCTWLCKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O/c1-3-24-14-9-8-11(2)10-12(14)19(16(24)26)23-17(20)22-18-21-13-6-4-5-7-15(13)25(18)19/h4-10H,3H2,1-2H3,(H3,20,21,22,23).
What are the key properties of 2-amino-1'-ethyl-5'-methylspiro[1H-[1,3,5]triazino[1,2-a]benzimidazole-4,3'-indole]-2'-one?
2-amino-1'-ethyl-5'-methylspiro[1H-[1,3,5]triazino[1,2-a]benzimidazole-4,3'-indole]-2'-one has a molecular weight of 346.39 g/mol, XLogP of 2.15, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1'-ethyl-5'-methylspiro[1H-[1,3,5]triazino[1,2-a]benzimidazole-4,3'-indole]-2'-one is sourced from PubChem (CID 135616501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).