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

C16H25N5 — CID 64530565

IUPAC2,6,6-trimethyl-1-[3-(1H-1,2,4-triazol-5-yl)propyl]-5,7-dihydro-4H-indol-4-amine
SMILESCc1cc2c(n1CCCc1ncn[nH]1)CC(C)(C)CC2N
InChIInChI=1S/C16H25N5/c1-11-7-12-13(17)8-16(2,3)9-14(12)21(11)6-4-5-15-18-10-19-20-15/h7,10,13H,4-6,8-9,17H2,1-3H3,(H,18,19,20)
InChIKeyPCZUPQHJLFADIA-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.52
Rot. Bonds4

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

2,6,6-trimethyl-1-[3-(1H-1,2,4-triazol-5-yl)propyl]-5,7-dihydro-4H-indol-4-amine (PubChem CID 64530565) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is 2,6,6-trimethyl-1-[3-(1H-1,2,4-triazol-5-yl)propyl]-5,7-dihydro-4H-indol-4-amine.

Molecular Properties

Compound Name2,6,6-trimethyl-1-[3-(1H-1,2,4-triazol-5-yl)propyl]-5,7-dihydro-4H-indol-4-amine
PubChem CID64530565
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC Name2,6,6-trimethyl-1-[3-(1H-1,2,4-triazol-5-yl)propyl]-5,7-dihydro-4H-indol-4-amine
SMILESCc1cc2c(n1CCCc1ncn[nH]1)CC(C)(C)CC2N
InChIInChI=1S/C16H25N5/c1-11-7-12-13(17)8-16(2,3)9-14(12)21(11)6-4-5-15-18-10-19-20-15/h7,10,13H,4-6,8-9,17H2,1-3H3,(H,18,19,20)
InChIKeyPCZUPQHJLFADIA-UHFFFAOYSA-N
XLogP2.52
TPSA72.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.52
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-[3-(1H-1,2,4-triazol-5-yl)propyl]-5,7-dihydro-4H-indol-4-amine?
The IUPAC name of 2,6,6-trimethyl-1-[3-(1H-1,2,4-triazol-5-yl)propyl]-5,7-dihydro-4H-indol-4-amine (CID 64530565) is 2,6,6-trimethyl-1-[3-(1H-1,2,4-triazol-5-yl)propyl]-5,7-dihydro-4H-indol-4-amine.
What is the SMILES notation for 2,6,6-trimethyl-1-[3-(1H-1,2,4-triazol-5-yl)propyl]-5,7-dihydro-4H-indol-4-amine?
The canonical SMILES for 2,6,6-trimethyl-1-[3-(1H-1,2,4-triazol-5-yl)propyl]-5,7-dihydro-4H-indol-4-amine is Cc1cc2c(n1CCCc1ncn[nH]1)CC(C)(C)CC2N.
What is the InChIKey of 2,6,6-trimethyl-1-[3-(1H-1,2,4-triazol-5-yl)propyl]-5,7-dihydro-4H-indol-4-amine?
The InChIKey is PCZUPQHJLFADIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c1-11-7-12-13(17)8-16(2,3)9-14(12)21(11)6-4-5-15-18-10-19-20-15/h7,10,13H,4-6,8-9,17H2,1-3H3,(H,18,19,20).
What are the key properties of 2,6,6-trimethyl-1-[3-(1H-1,2,4-triazol-5-yl)propyl]-5,7-dihydro-4H-indol-4-amine?
2,6,6-trimethyl-1-[3-(1H-1,2,4-triazol-5-yl)propyl]-5,7-dihydro-4H-indol-4-amine has a molecular weight of 287.41 g/mol, XLogP of 2.52, 4 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-[3-(1H-1,2,4-triazol-5-yl)propyl]-5,7-dihydro-4H-indol-4-amine is sourced from PubChem (CID 64530565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).