4-amino-5-(trifluoromethyl)-1,3-diazinan-2-one

C5H8F3N3O — CID 57174118

IUPAC4-amino-5-(trifluoromethyl)-1,3-diazinan-2-one
SMILESNC1NC(=O)NCC1C(F)(F)F
InChIInChI=1S/C5H8F3N3O/c6-5(7,8)2-1-10-4(12)11-3(2)9/h2-3H,1,9H2,(H2,10,11,12)
InChIKeyPPPVJHMNVMWNSN-UHFFFAOYSA-N
MW183.13 g/mol
LogP-0.24
Rot. Bonds

About 4-amino-5-(trifluoromethyl)-1,3-diazinan-2-one

4-amino-5-(trifluoromethyl)-1,3-diazinan-2-one (PubChem CID 57174118) has the molecular formula C5H8F3N3O and a molecular weight of 183.13 g/mol. Its IUPAC name is 4-amino-5-(trifluoromethyl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name4-amino-5-(trifluoromethyl)-1,3-diazinan-2-one
PubChem CID57174118
Molecular FormulaC5H8F3N3O
Molecular Weight183.13 g/mol
Exact Mass183.06
IUPAC Name4-amino-5-(trifluoromethyl)-1,3-diazinan-2-one
SMILESNC1NC(=O)NCC1C(F)(F)F
InChIInChI=1S/C5H8F3N3O/c6-5(7,8)2-1-10-4(12)11-3(2)9/h2-3H,1,9H2,(H2,10,11,12)
InChIKeyPPPVJHMNVMWNSN-UHFFFAOYSA-N
XLogP-0.24
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.13
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(trifluoromethyl)-1,3-diazinan-2-one?
The IUPAC name of 4-amino-5-(trifluoromethyl)-1,3-diazinan-2-one (CID 57174118) is 4-amino-5-(trifluoromethyl)-1,3-diazinan-2-one.
What is the SMILES notation for 4-amino-5-(trifluoromethyl)-1,3-diazinan-2-one?
The canonical SMILES for 4-amino-5-(trifluoromethyl)-1,3-diazinan-2-one is NC1NC(=O)NCC1C(F)(F)F.
What is the InChIKey of 4-amino-5-(trifluoromethyl)-1,3-diazinan-2-one?
The InChIKey is PPPVJHMNVMWNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3N3O/c6-5(7,8)2-1-10-4(12)11-3(2)9/h2-3H,1,9H2,(H2,10,11,12).
What are the key properties of 4-amino-5-(trifluoromethyl)-1,3-diazinan-2-one?
4-amino-5-(trifluoromethyl)-1,3-diazinan-2-one has a molecular weight of 183.13 g/mol, XLogP of -0.24, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(trifluoromethyl)-1,3-diazinan-2-one is sourced from PubChem (CID 57174118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).