N-(3-amino-2,2-difluoropropyl)-3-(1,2,4-triazol-1-yl)propanamide

C8H13F2N5O — CID 114383542

IUPACN-(3-amino-2,2-difluoropropyl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESNCC(F)(F)CNC(=O)CCn1cncn1
InChIInChI=1S/C8H13F2N5O/c9-8(10,3-11)4-13-7(16)1-2-15-6-12-5-14-15/h5-6H,1-4,11H2,(H,13,16)
InChIKeyYYOJLAONOSWQCC-UHFFFAOYSA-N
MW233.22 g/mol
LogP-0.62
Rot. Bonds6

About N-(3-amino-2,2-difluoropropyl)-3-(1,2,4-triazol-1-yl)propanamide

N-(3-amino-2,2-difluoropropyl)-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 114383542) has the molecular formula C8H13F2N5O and a molecular weight of 233.22 g/mol. Its IUPAC name is N-(3-amino-2,2-difluoropropyl)-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-amino-2,2-difluoropropyl)-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID114383542
Molecular FormulaC8H13F2N5O
Molecular Weight233.22 g/mol
Exact Mass233.11
IUPAC NameN-(3-amino-2,2-difluoropropyl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESNCC(F)(F)CNC(=O)CCn1cncn1
InChIInChI=1S/C8H13F2N5O/c9-8(10,3-11)4-13-7(16)1-2-15-6-12-5-14-15/h5-6H,1-4,11H2,(H,13,16)
InChIKeyYYOJLAONOSWQCC-UHFFFAOYSA-N
XLogP-0.62
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-difluoropropyl)-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-(3-amino-2,2-difluoropropyl)-3-(1,2,4-triazol-1-yl)propanamide (CID 114383542) is N-(3-amino-2,2-difluoropropyl)-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-(3-amino-2,2-difluoropropyl)-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-(3-amino-2,2-difluoropropyl)-3-(1,2,4-triazol-1-yl)propanamide is NCC(F)(F)CNC(=O)CCn1cncn1.
What is the InChIKey of N-(3-amino-2,2-difluoropropyl)-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is YYOJLAONOSWQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N5O/c9-8(10,3-11)4-13-7(16)1-2-15-6-12-5-14-15/h5-6H,1-4,11H2,(H,13,16).
What are the key properties of N-(3-amino-2,2-difluoropropyl)-3-(1,2,4-triazol-1-yl)propanamide?
N-(3-amino-2,2-difluoropropyl)-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 233.22 g/mol, XLogP of -0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-difluoropropyl)-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 114383542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).