4-(2,3-dihydroindol-1-yl)-1,3,5-triazin-2-amine

C11H11N5 — CID 6457424

IUPAC4-(2,3-dihydroindol-1-yl)-1,3,5-triazin-2-amine
SMILESNc1ncnc(N2CCc3ccccc32)n1
InChIInChI=1S/C11H11N5/c12-10-13-7-14-11(15-10)16-6-5-8-3-1-2-4-9(8)16/h1-4,7H,5-6H2,(H2,12,13,14,15)
InChIKeyAVAFAFDOURGYKI-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.15
Rot. Bonds1

About 4-(2,3-dihydroindol-1-yl)-1,3,5-triazin-2-amine

4-(2,3-dihydroindol-1-yl)-1,3,5-triazin-2-amine (PubChem CID 6457424) has the molecular formula C11H11N5 and a molecular weight of 213.24 g/mol. Its IUPAC name is 4-(2,3-dihydroindol-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2,3-dihydroindol-1-yl)-1,3,5-triazin-2-amine
PubChem CID6457424
Molecular FormulaC11H11N5
Molecular Weight213.24 g/mol
Exact Mass213.10
IUPAC Name4-(2,3-dihydroindol-1-yl)-1,3,5-triazin-2-amine
SMILESNc1ncnc(N2CCc3ccccc32)n1
InChIInChI=1S/C11H11N5/c12-10-13-7-14-11(15-10)16-6-5-8-3-1-2-4-9(8)16/h1-4,7H,5-6H2,(H2,12,13,14,15)
InChIKeyAVAFAFDOURGYKI-UHFFFAOYSA-N
XLogP1.15
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroindol-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2,3-dihydroindol-1-yl)-1,3,5-triazin-2-amine (CID 6457424) is 4-(2,3-dihydroindol-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2,3-dihydroindol-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2,3-dihydroindol-1-yl)-1,3,5-triazin-2-amine is Nc1ncnc(N2CCc3ccccc32)n1.
What is the InChIKey of 4-(2,3-dihydroindol-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is AVAFAFDOURGYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5/c12-10-13-7-14-11(15-10)16-6-5-8-3-1-2-4-9(8)16/h1-4,7H,5-6H2,(H2,12,13,14,15).
What are the key properties of 4-(2,3-dihydroindol-1-yl)-1,3,5-triazin-2-amine?
4-(2,3-dihydroindol-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 213.24 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydroindol-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 6457424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).