N-(1-indol-1-ylpropan-2-yl)-5-(2-methylphenyl)-1,2,4-triazin-3-amine

C21H21N5 — CID 45207076

IUPACN-(1-indol-1-ylpropan-2-yl)-5-(2-methylphenyl)-1,2,4-triazin-3-amine
SMILESCc1ccccc1-c1cnnc(NC(C)Cn2ccc3ccccc32)n1
InChIInChI=1S/C21H21N5/c1-15-7-3-5-9-18(15)19-13-22-25-21(24-19)23-16(2)14-26-12-11-17-8-4-6-10-20(17)26/h3-13,16H,14H2,1-2H3,(H,23,24,25)
InChIKeyQYYUHVUZZSEVGK-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.30
Rot. Bonds5

About N-(1-indol-1-ylpropan-2-yl)-5-(2-methylphenyl)-1,2,4-triazin-3-amine

N-(1-indol-1-ylpropan-2-yl)-5-(2-methylphenyl)-1,2,4-triazin-3-amine (PubChem CID 45207076) has the molecular formula C21H21N5 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-(1-indol-1-ylpropan-2-yl)-5-(2-methylphenyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-(1-indol-1-ylpropan-2-yl)-5-(2-methylphenyl)-1,2,4-triazin-3-amine
PubChem CID45207076
Molecular FormulaC21H21N5
Molecular Weight343.43 g/mol
Exact Mass343.18
IUPAC NameN-(1-indol-1-ylpropan-2-yl)-5-(2-methylphenyl)-1,2,4-triazin-3-amine
SMILESCc1ccccc1-c1cnnc(NC(C)Cn2ccc3ccccc32)n1
InChIInChI=1S/C21H21N5/c1-15-7-3-5-9-18(15)19-13-22-25-21(24-19)23-16(2)14-26-12-11-17-8-4-6-10-20(17)26/h3-13,16H,14H2,1-2H3,(H,23,24,25)
InChIKeyQYYUHVUZZSEVGK-UHFFFAOYSA-N
XLogP4.30
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-indol-1-ylpropan-2-yl)-5-(2-methylphenyl)-1,2,4-triazin-3-amine?
The IUPAC name of N-(1-indol-1-ylpropan-2-yl)-5-(2-methylphenyl)-1,2,4-triazin-3-amine (CID 45207076) is N-(1-indol-1-ylpropan-2-yl)-5-(2-methylphenyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for N-(1-indol-1-ylpropan-2-yl)-5-(2-methylphenyl)-1,2,4-triazin-3-amine?
The canonical SMILES for N-(1-indol-1-ylpropan-2-yl)-5-(2-methylphenyl)-1,2,4-triazin-3-amine is Cc1ccccc1-c1cnnc(NC(C)Cn2ccc3ccccc32)n1.
What is the InChIKey of N-(1-indol-1-ylpropan-2-yl)-5-(2-methylphenyl)-1,2,4-triazin-3-amine?
The InChIKey is QYYUHVUZZSEVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5/c1-15-7-3-5-9-18(15)19-13-22-25-21(24-19)23-16(2)14-26-12-11-17-8-4-6-10-20(17)26/h3-13,16H,14H2,1-2H3,(H,23,24,25).
What are the key properties of N-(1-indol-1-ylpropan-2-yl)-5-(2-methylphenyl)-1,2,4-triazin-3-amine?
N-(1-indol-1-ylpropan-2-yl)-5-(2-methylphenyl)-1,2,4-triazin-3-amine has a molecular weight of 343.43 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-indol-1-ylpropan-2-yl)-5-(2-methylphenyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 45207076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).