N-[[1-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]cyclopropyl]methyl]-4,4,4-trifluoro-3,3-dimethylbutanamide

C17H26F3N5O — CID 167967229

IUPACN-[[1-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]cyclopropyl]methyl]-4,4,4-trifluoro-3,3-dimethylbutanamide
SMILESCCc1nnc(NC2(CNC(=O)CC(C)(C)C(F)(F)F)CC2)nc1CC
InChIInChI=1S/C17H26F3N5O/c1-5-11-12(6-2)24-25-14(22-11)23-16(7-8-16)10-21-13(26)9-15(3,4)17(18,19)20/h5-10H2,1-4H3,(H,21,26)(H,22,23,25)
InChIKeyFIFQGJKENCAPAX-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.04
Rot. Bonds8

About N-[[1-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]cyclopropyl]methyl]-4,4,4-trifluoro-3,3-dimethylbutanamide

N-[[1-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]cyclopropyl]methyl]-4,4,4-trifluoro-3,3-dimethylbutanamide (PubChem CID 167967229) has the molecular formula C17H26F3N5O and a molecular weight of 373.42 g/mol. Its IUPAC name is N-[[1-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]cyclopropyl]methyl]-4,4,4-trifluoro-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[[1-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]cyclopropyl]methyl]-4,4,4-trifluoro-3,3-dimethylbutanamide
PubChem CID167967229
Molecular FormulaC17H26F3N5O
Molecular Weight373.42 g/mol
Exact Mass373.21
IUPAC NameN-[[1-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]cyclopropyl]methyl]-4,4,4-trifluoro-3,3-dimethylbutanamide
SMILESCCc1nnc(NC2(CNC(=O)CC(C)(C)C(F)(F)F)CC2)nc1CC
InChIInChI=1S/C17H26F3N5O/c1-5-11-12(6-2)24-25-14(22-11)23-16(7-8-16)10-21-13(26)9-15(3,4)17(18,19)20/h5-10H2,1-4H3,(H,21,26)(H,22,23,25)
InChIKeyFIFQGJKENCAPAX-UHFFFAOYSA-N
XLogP3.04
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]cyclopropyl]methyl]-4,4,4-trifluoro-3,3-dimethylbutanamide?
The IUPAC name of N-[[1-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]cyclopropyl]methyl]-4,4,4-trifluoro-3,3-dimethylbutanamide (CID 167967229) is N-[[1-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]cyclopropyl]methyl]-4,4,4-trifluoro-3,3-dimethylbutanamide.
What is the SMILES notation for N-[[1-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]cyclopropyl]methyl]-4,4,4-trifluoro-3,3-dimethylbutanamide?
The canonical SMILES for N-[[1-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]cyclopropyl]methyl]-4,4,4-trifluoro-3,3-dimethylbutanamide is CCc1nnc(NC2(CNC(=O)CC(C)(C)C(F)(F)F)CC2)nc1CC.
What is the InChIKey of N-[[1-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]cyclopropyl]methyl]-4,4,4-trifluoro-3,3-dimethylbutanamide?
The InChIKey is FIFQGJKENCAPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F3N5O/c1-5-11-12(6-2)24-25-14(22-11)23-16(7-8-16)10-21-13(26)9-15(3,4)17(18,19)20/h5-10H2,1-4H3,(H,21,26)(H,22,23,25).
What are the key properties of N-[[1-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]cyclopropyl]methyl]-4,4,4-trifluoro-3,3-dimethylbutanamide?
N-[[1-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]cyclopropyl]methyl]-4,4,4-trifluoro-3,3-dimethylbutanamide has a molecular weight of 373.42 g/mol, XLogP of 3.04, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]cyclopropyl]methyl]-4,4,4-trifluoro-3,3-dimethylbutanamide is sourced from PubChem (CID 167967229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).