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

C15H23N5 — CID 106282512

IUPAC2,6,6-trimethyl-1-[1-(1H-1,2,4-triazol-5-yl)ethyl]-5,7-dihydro-4H-indol-4-amine
SMILESCc1cc2c(n1C(C)c1ncn[nH]1)CC(C)(C)CC2N
InChIInChI=1S/C15H23N5/c1-9-5-11-12(16)6-15(3,4)7-13(11)20(9)10(2)14-17-8-18-19-14/h5,8,10,12H,6-7,16H2,1-4H3,(H,17,18,19)
InChIKeyBCKWEFFJNDUINU-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.50
Rot. Bonds2

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

2,6,6-trimethyl-1-[1-(1H-1,2,4-triazol-5-yl)ethyl]-5,7-dihydro-4H-indol-4-amine (PubChem CID 106282512) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is 2,6,6-trimethyl-1-[1-(1H-1,2,4-triazol-5-yl)ethyl]-5,7-dihydro-4H-indol-4-amine.

Molecular Properties

Compound Name2,6,6-trimethyl-1-[1-(1H-1,2,4-triazol-5-yl)ethyl]-5,7-dihydro-4H-indol-4-amine
PubChem CID106282512
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Name2,6,6-trimethyl-1-[1-(1H-1,2,4-triazol-5-yl)ethyl]-5,7-dihydro-4H-indol-4-amine
SMILESCc1cc2c(n1C(C)c1ncn[nH]1)CC(C)(C)CC2N
InChIInChI=1S/C15H23N5/c1-9-5-11-12(16)6-15(3,4)7-13(11)20(9)10(2)14-17-8-18-19-14/h5,8,10,12H,6-7,16H2,1-4H3,(H,17,18,19)
InChIKeyBCKWEFFJNDUINU-UHFFFAOYSA-N
XLogP2.50
TPSA72.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6,6-trimethyl-1-[1-(1H-1,2,4-triazol-5-yl)ethyl]-5,7-dihydro-4H-indol-4-amine?
The IUPAC name of 2,6,6-trimethyl-1-[1-(1H-1,2,4-triazol-5-yl)ethyl]-5,7-dihydro-4H-indol-4-amine (CID 106282512) is 2,6,6-trimethyl-1-[1-(1H-1,2,4-triazol-5-yl)ethyl]-5,7-dihydro-4H-indol-4-amine.
What is the SMILES notation for 2,6,6-trimethyl-1-[1-(1H-1,2,4-triazol-5-yl)ethyl]-5,7-dihydro-4H-indol-4-amine?
The canonical SMILES for 2,6,6-trimethyl-1-[1-(1H-1,2,4-triazol-5-yl)ethyl]-5,7-dihydro-4H-indol-4-amine is Cc1cc2c(n1C(C)c1ncn[nH]1)CC(C)(C)CC2N.
What is the InChIKey of 2,6,6-trimethyl-1-[1-(1H-1,2,4-triazol-5-yl)ethyl]-5,7-dihydro-4H-indol-4-amine?
The InChIKey is BCKWEFFJNDUINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-9-5-11-12(16)6-15(3,4)7-13(11)20(9)10(2)14-17-8-18-19-14/h5,8,10,12H,6-7,16H2,1-4H3,(H,17,18,19).
What are the key properties of 2,6,6-trimethyl-1-[1-(1H-1,2,4-triazol-5-yl)ethyl]-5,7-dihydro-4H-indol-4-amine?
2,6,6-trimethyl-1-[1-(1H-1,2,4-triazol-5-yl)ethyl]-5,7-dihydro-4H-indol-4-amine has a molecular weight of 273.38 g/mol, XLogP of 2.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,6-trimethyl-1-[1-(1H-1,2,4-triazol-5-yl)ethyl]-5,7-dihydro-4H-indol-4-amine is sourced from PubChem (CID 106282512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).