6-(1H-indol-3-yl)-1,3,5-triazine-2,4-diamine

C11H10N6 — CID 14358165

IUPAC6-(1H-indol-3-yl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(-c2c[nH]c3ccccc23)n1
InChIInChI=1S/C11H10N6/c12-10-15-9(16-11(13)17-10)7-5-14-8-4-2-1-3-6(7)8/h1-5,14H,(H4,12,13,15,16,17)
InChIKeyMOFOAOSWNGXWAS-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.18
Rot. Bonds1

About 6-(1H-indol-3-yl)-1,3,5-triazine-2,4-diamine

6-(1H-indol-3-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 14358165) has the molecular formula C11H10N6 and a molecular weight of 226.24 g/mol. Its IUPAC name is 6-(1H-indol-3-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(1H-indol-3-yl)-1,3,5-triazine-2,4-diamine
PubChem CID14358165
Molecular FormulaC11H10N6
Molecular Weight226.24 g/mol
Exact Mass226.10
IUPAC Name6-(1H-indol-3-yl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(-c2c[nH]c3ccccc23)n1
InChIInChI=1S/C11H10N6/c12-10-15-9(16-11(13)17-10)7-5-14-8-4-2-1-3-6(7)8/h1-5,14H,(H4,12,13,15,16,17)
InChIKeyMOFOAOSWNGXWAS-UHFFFAOYSA-N
XLogP1.18
TPSA106.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1H-indol-3-yl)aniline
CID 25210227
3-[4-(1H-indol-3-yl)phenyl]-1H-indole
CID 175007681
7-(1H-indol-3-yl)-6-methylquinazoline-2,4-diamine
CID 67607527
4-(1H-indol-3-yl)imidazole-1,2-diamine
CID 82284365
2-(1H-indol-3-yl)-[1,2,4]triazolo[1,5-a]pyridine
CID 175946267
7-amino-5-(1H-indol-3-yl)-2-sulfanylidene-1H-pyrimido[4,5-d]pyrimidin-4-one
CID 172511081
methane;3-phenyl-1H-indole
CID 167711687
3-pyridin-4-yl-1H-indole
CID 159430533
3-(1H-indol-3-yl)aniline
CID 82395331
5-(4-fluorophenyl)-4-(1H-indol-3-yl)pyrimidin-2-amine
CID 101432469
4-(1H-indol-3-yl)thiophen-2-amine
CID 82393986
2-(1H-indol-3-yl)-1H-benzimidazole;hydroiodide
CID 146120911

Frequently Asked Questions

What is the IUPAC name of 6-(1H-indol-3-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(1H-indol-3-yl)-1,3,5-triazine-2,4-diamine (CID 14358165) is 6-(1H-indol-3-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(1H-indol-3-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(1H-indol-3-yl)-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(-c2c[nH]c3ccccc23)n1.
What is the InChIKey of 6-(1H-indol-3-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is MOFOAOSWNGXWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6/c12-10-15-9(16-11(13)17-10)7-5-14-8-4-2-1-3-6(7)8/h1-5,14H,(H4,12,13,15,16,17).
What are the key properties of 6-(1H-indol-3-yl)-1,3,5-triazine-2,4-diamine?
6-(1H-indol-3-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 226.24 g/mol, XLogP of 1.18, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-indol-3-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 14358165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).