N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[6-[cyclopentylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl]-1-methyl-1,2,4-triazol-3-amine

C30H35F6N5 — CID 11757927

About N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[6-[cyclopentylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl]-1-methyl-1,2,4-triazol-3-amine

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[6-[cyclopentylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl]-1-methyl-1,2,4-triazol-3-amine (PubChem CID 11757927) has the molecular formula C30H35F6N5 and a molecular weight of 579.63 g/mol. Its IUPAC name is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[6-[cyclopentylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl]-1-methyl-1,2,4-triazol-3-amine.

Molecular Properties

• Compound Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[6-[cyclopentylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl]-1-methyl-1,2,4-triazol-3-amine
• PubChem CID: 11757927
• Molecular Formula: C30H35F6N5
• Molecular Weight: 579.63 g/mol
• Exact Mass: 579.28
• IUPAC Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[6-[cyclopentylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl]-1-methyl-1,2,4-triazol-3-amine
• SMILES: CCN(CC1CCCC1)c1cc2c(cc1CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ncn(C)n1)CCC2
• InChI: InChI=1S/C30H35F6N5/c1-3-40(16-20-7-4-5-8-20)27-14-23-10-6-9-22(23)13-24(27)18-41(28-37-19-39(2)38-28)17-21-11-25(29(31,32)33)15-26(12-21)30(34,35)36/h11-15,19-20H,3-10,16-18H2,1-2H3
• InChIKey: PALFKIWCYMXHHV-UHFFFAOYSA-N
• XLogP: 7.56
• TPSA: 37.19 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	579.63
LogP ≤ 5	7.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[6-[cyclopentylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl]-1-methyl-1,2,4-triazol-3-amine?

The IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[6-[cyclopentylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl]-1-methyl-1,2,4-triazol-3-amine (CID 11757927) is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[6-[cyclopentylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl]-1-methyl-1,2,4-triazol-3-amine.

What is the SMILES notation for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[6-[cyclopentylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl]-1-methyl-1,2,4-triazol-3-amine?

The canonical SMILES for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[6-[cyclopentylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl]-1-methyl-1,2,4-triazol-3-amine is CCN(CC1CCCC1)c1cc2c(cc1CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ncn(C)n1)CCC2.

What is the InChIKey of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[6-[cyclopentylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl]-1-methyl-1,2,4-triazol-3-amine?

The InChIKey is PALFKIWCYMXHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35F6N5/c1-3-40(16-20-7-4-5-8-20)27-14-23-10-6-9-22(23)13-24(27)18-41(28-37-19-39(2)38-28)17-21-11-25(29(31,32)33)15-26(12-21)30(34,35)36/h11-15,19-20H,3-10,16-18H2,1-2H3.

What are the key properties of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[6-[cyclopentylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl]-1-methyl-1,2,4-triazol-3-amine?

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[6-[cyclopentylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl]-1-methyl-1,2,4-triazol-3-amine has a molecular weight of 579.63 g/mol, XLogP of 7.56, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[6-[cyclopentylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl]-1-methyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 11757927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).