N-[(2S)-2-amino-4-[3-(difluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-oxobutyl]-N-methylpentanamide

C16H26F2N6O2 — CID 147968430

IUPACN-[(2S)-2-amino-4-[3-(difluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-oxobutyl]-N-methylpentanamide
SMILESCCCCC(=O)N(C)C[C@@H](N)CC(=O)N1CCn2c(nnc2C(F)F)C1
InChIInChI=1S/C16H26F2N6O2/c1-3-4-5-13(25)22(2)9-11(19)8-14(26)23-6-7-24-12(10-23)20-21-16(24)15(17)18/h11,15H,3-10,19H2,1-2H3/t11-/m0/s1
InChIKeyIQWJGZWVSBXDQY-NSHDSACASA-N
MW372.42 g/mol
LogP0.92
Rot. Bonds8

About N-[(2S)-2-amino-4-[3-(difluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-oxobutyl]-N-methylpentanamide

N-[(2S)-2-amino-4-[3-(difluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-oxobutyl]-N-methylpentanamide (PubChem CID 147968430) has the molecular formula C16H26F2N6O2 and a molecular weight of 372.42 g/mol. Its IUPAC name is N-[(2S)-2-amino-4-[3-(difluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-oxobutyl]-N-methylpentanamide.

Molecular Properties

Compound NameN-[(2S)-2-amino-4-[3-(difluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-oxobutyl]-N-methylpentanamide
PubChem CID147968430
Molecular FormulaC16H26F2N6O2
Molecular Weight372.42 g/mol
Exact Mass372.21
IUPAC NameN-[(2S)-2-amino-4-[3-(difluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-oxobutyl]-N-methylpentanamide
SMILESCCCCC(=O)N(C)C[C@@H](N)CC(=O)N1CCn2c(nnc2C(F)F)C1
InChIInChI=1S/C16H26F2N6O2/c1-3-4-5-13(25)22(2)9-11(19)8-14(26)23-6-7-24-12(10-23)20-21-16(24)15(17)18/h11,15H,3-10,19H2,1-2H3/t11-/m0/s1
InChIKeyIQWJGZWVSBXDQY-NSHDSACASA-N
XLogP0.92
TPSA97.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2S)-2-amino-4-[3-(difluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-oxobutyl]-N-methylpentanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-amino-4-[3-(difluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-oxobutyl]-N-methylpentanamide?
The IUPAC name of N-[(2S)-2-amino-4-[3-(difluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-oxobutyl]-N-methylpentanamide (CID 147968430) is N-[(2S)-2-amino-4-[3-(difluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-oxobutyl]-N-methylpentanamide.
What is the SMILES notation for N-[(2S)-2-amino-4-[3-(difluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-oxobutyl]-N-methylpentanamide?
The canonical SMILES for N-[(2S)-2-amino-4-[3-(difluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-oxobutyl]-N-methylpentanamide is CCCCC(=O)N(C)C[C@@H](N)CC(=O)N1CCn2c(nnc2C(F)F)C1.
What is the InChIKey of N-[(2S)-2-amino-4-[3-(difluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-oxobutyl]-N-methylpentanamide?
The InChIKey is IQWJGZWVSBXDQY-NSHDSACASA-N. The full InChI is InChI=1S/C16H26F2N6O2/c1-3-4-5-13(25)22(2)9-11(19)8-14(26)23-6-7-24-12(10-23)20-21-16(24)15(17)18/h11,15H,3-10,19H2,1-2H3/t11-/m0/s1.
What are the key properties of N-[(2S)-2-amino-4-[3-(difluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-oxobutyl]-N-methylpentanamide?
N-[(2S)-2-amino-4-[3-(difluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-oxobutyl]-N-methylpentanamide has a molecular weight of 372.42 g/mol, XLogP of 0.92, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-amino-4-[3-(difluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-oxobutyl]-N-methylpentanamide is sourced from PubChem (CID 147968430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).