4-(1H-indol-3-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine

C17H14N6 — CID 4874723

IUPAC4-(1H-indol-3-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
SMILESNC1=NC(c2c[nH]c3ccccc23)n2c(nc3ccccc32)N1
InChIInChI=1S/C17H14N6/c18-16-21-15(11-9-19-12-6-2-1-5-10(11)12)23-14-8-4-3-7-13(14)20-17(23)22-16/h1-9,15,19H,(H3,18,20,21,22)
InChIKeyLOLKXGYKPBOFBT-UHFFFAOYSA-N
MW302.34 g/mol
LogP2.80
Rot. Bonds1

About 4-(1H-indol-3-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine

4-(1H-indol-3-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine (PubChem CID 4874723) has the molecular formula C17H14N6 and a molecular weight of 302.34 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine.

Molecular Properties

Compound Name4-(1H-indol-3-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
PubChem CID4874723
Molecular FormulaC17H14N6
Molecular Weight302.34 g/mol
Exact Mass302.13
IUPAC Name4-(1H-indol-3-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
SMILESNC1=NC(c2c[nH]c3ccccc23)n2c(nc3ccccc32)N1
InChIInChI=1S/C17H14N6/c18-16-21-15(11-9-19-12-6-2-1-5-10(11)12)23-14-8-4-3-7-13(14)20-17(23)22-16/h1-9,15,19H,(H3,18,20,21,22)
InChIKeyLOLKXGYKPBOFBT-UHFFFAOYSA-N
XLogP2.80
TPSA84.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-(1H-indol-3-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine with MolForge

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Related Compounds

(4R)-4-(2-fluorophenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 136683267
4-(2-methoxyphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 3270126
(4S)-4-(furan-2-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 947229
4-(5-chloro-2-fluorophenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 135629392
4-(2-pyrrolidin-1-ylphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 135812562
(4R)-4-(4-chlorophenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 901239
(4S)-4-[2-(difluoromethoxy)phenyl]-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 136732436
4-naphthalen-2-yl-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 135843390
4-(1-benzofuran-2-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 135549280
1-[(4R)-4-(1H-indol-3-yl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazol-3-yl]ethanone
CID 92695395
4-(4-methoxyphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 3865888
4-(3-ethoxy-2-propoxyphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 135680691

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine?
The IUPAC name of 4-(1H-indol-3-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine (CID 4874723) is 4-(1H-indol-3-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine.
What is the SMILES notation for 4-(1H-indol-3-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine?
The canonical SMILES for 4-(1H-indol-3-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine is NC1=NC(c2c[nH]c3ccccc23)n2c(nc3ccccc32)N1.
What is the InChIKey of 4-(1H-indol-3-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine?
The InChIKey is LOLKXGYKPBOFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6/c18-16-21-15(11-9-19-12-6-2-1-5-10(11)12)23-14-8-4-3-7-13(14)20-17(23)22-16/h1-9,15,19H,(H3,18,20,21,22).
What are the key properties of 4-(1H-indol-3-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine?
4-(1H-indol-3-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine has a molecular weight of 302.34 g/mol, XLogP of 2.80, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine is sourced from PubChem (CID 4874723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).