(2R)-2-[(4-chloro-1,3,5-triazin-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide

C8H9ClF3N5O — CID 58964357

IUPAC(2R)-2-[(4-chloro-1,3,5-triazin-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESC[C@@H](Nc1ncnc(Cl)n1)C(=O)NCC(F)(F)F
InChIInChI=1S/C8H9ClF3N5O/c1-4(5(18)13-2-8(10,11)12)16-7-15-3-14-6(9)17-7/h3-4H,2H2,1H3,(H,13,18)(H,14,15,16,17)/t4-/m1/s1
InChIKeyMSFDQLJRZSHXIS-SCSAIBSYSA-N
MW283.64 g/mol
LogP1.00
Rot. Bonds4

About (2R)-2-[(4-chloro-1,3,5-triazin-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide

(2R)-2-[(4-chloro-1,3,5-triazin-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 58964357) has the molecular formula C8H9ClF3N5O and a molecular weight of 283.64 g/mol. Its IUPAC name is (2R)-2-[(4-chloro-1,3,5-triazin-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[(4-chloro-1,3,5-triazin-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID58964357
Molecular FormulaC8H9ClF3N5O
Molecular Weight283.64 g/mol
Exact Mass283.04
IUPAC Name(2R)-2-[(4-chloro-1,3,5-triazin-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESC[C@@H](Nc1ncnc(Cl)n1)C(=O)NCC(F)(F)F
InChIInChI=1S/C8H9ClF3N5O/c1-4(5(18)13-2-8(10,11)12)16-7-15-3-14-6(9)17-7/h3-4H,2H2,1H3,(H,13,18)(H,14,15,16,17)/t4-/m1/s1
InChIKeyMSFDQLJRZSHXIS-SCSAIBSYSA-N
XLogP1.00
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.64
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-chloro-1,3,5-triazin-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of (2R)-2-[(4-chloro-1,3,5-triazin-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide (CID 58964357) is (2R)-2-[(4-chloro-1,3,5-triazin-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for (2R)-2-[(4-chloro-1,3,5-triazin-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for (2R)-2-[(4-chloro-1,3,5-triazin-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide is C[C@@H](Nc1ncnc(Cl)n1)C(=O)NCC(F)(F)F.
What is the InChIKey of (2R)-2-[(4-chloro-1,3,5-triazin-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is MSFDQLJRZSHXIS-SCSAIBSYSA-N. The full InChI is InChI=1S/C8H9ClF3N5O/c1-4(5(18)13-2-8(10,11)12)16-7-15-3-14-6(9)17-7/h3-4H,2H2,1H3,(H,13,18)(H,14,15,16,17)/t4-/m1/s1.
What are the key properties of (2R)-2-[(4-chloro-1,3,5-triazin-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
(2R)-2-[(4-chloro-1,3,5-triazin-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 283.64 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-chloro-1,3,5-triazin-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 58964357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).