2,6,6-trimethyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5,7-dihydro-4H-indol-4-amine

C15H23N5 — CID 62117771

IUPAC2,6,6-trimethyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5,7-dihydro-4H-indol-4-amine
SMILESCc1cc2c(n1Cc1nncn1C)CC(C)(C)CC2N
InChIInChI=1S/C15H23N5/c1-10-5-11-12(16)6-15(2,3)7-13(11)20(10)8-14-18-17-9-19(14)4/h5,9,12H,6-8,16H2,1-4H3
InChIKeyGXQIMZPVNUBAGN-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.95
Rot. Bonds2

About 2,6,6-trimethyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5,7-dihydro-4H-indol-4-amine

2,6,6-trimethyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5,7-dihydro-4H-indol-4-amine (PubChem CID 62117771) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is 2,6,6-trimethyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5,7-dihydro-4H-indol-4-amine.

Molecular Properties

Compound Name2,6,6-trimethyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5,7-dihydro-4H-indol-4-amine
PubChem CID62117771
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Name2,6,6-trimethyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5,7-dihydro-4H-indol-4-amine
SMILESCc1cc2c(n1Cc1nncn1C)CC(C)(C)CC2N
InChIInChI=1S/C15H23N5/c1-10-5-11-12(16)6-15(2,3)7-13(11)20(10)8-14-18-17-9-19(14)4/h5,9,12H,6-8,16H2,1-4H3
InChIKeyGXQIMZPVNUBAGN-UHFFFAOYSA-N
XLogP1.95
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6,6-trimethyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5,7-dihydro-4H-indol-4-amine?
The IUPAC name of 2,6,6-trimethyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5,7-dihydro-4H-indol-4-amine (CID 62117771) is 2,6,6-trimethyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5,7-dihydro-4H-indol-4-amine.
What is the SMILES notation for 2,6,6-trimethyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5,7-dihydro-4H-indol-4-amine?
The canonical SMILES for 2,6,6-trimethyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5,7-dihydro-4H-indol-4-amine is Cc1cc2c(n1Cc1nncn1C)CC(C)(C)CC2N.
What is the InChIKey of 2,6,6-trimethyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5,7-dihydro-4H-indol-4-amine?
The InChIKey is GXQIMZPVNUBAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-10-5-11-12(16)6-15(2,3)7-13(11)20(10)8-14-18-17-9-19(14)4/h5,9,12H,6-8,16H2,1-4H3.
What are the key properties of 2,6,6-trimethyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5,7-dihydro-4H-indol-4-amine?
2,6,6-trimethyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5,7-dihydro-4H-indol-4-amine has a molecular weight of 273.38 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,6-trimethyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5,7-dihydro-4H-indol-4-amine is sourced from PubChem (CID 62117771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).