N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-3,3,3-trifluoropropanamide

C10H14F3N5O2 — CID 122253025

IUPACN-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-3,3,3-trifluoropropanamide
SMILESCOc1nc(CNC(=O)CC(F)(F)F)nc(N(C)C)n1
InChIInChI=1S/C10H14F3N5O2/c1-18(2)8-15-6(16-9(17-8)20-3)5-14-7(19)4-10(11,12)13/h4-5H2,1-3H3,(H,14,19)
InChIKeyQINOLZNIHDHLQH-UHFFFAOYSA-N
MW293.25 g/mol
LogP0.51
Rot. Bonds5

About N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-3,3,3-trifluoropropanamide

N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-3,3,3-trifluoropropanamide (PubChem CID 122253025) has the molecular formula C10H14F3N5O2 and a molecular weight of 293.25 g/mol. Its IUPAC name is N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-3,3,3-trifluoropropanamide
PubChem CID122253025
Molecular FormulaC10H14F3N5O2
Molecular Weight293.25 g/mol
Exact Mass293.11
IUPAC NameN-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-3,3,3-trifluoropropanamide
SMILESCOc1nc(CNC(=O)CC(F)(F)F)nc(N(C)C)n1
InChIInChI=1S/C10H14F3N5O2/c1-18(2)8-15-6(16-9(17-8)20-3)5-14-7(19)4-10(11,12)13/h4-5H2,1-3H3,(H,14,19)
InChIKeyQINOLZNIHDHLQH-UHFFFAOYSA-N
XLogP0.51
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

CID 138032114
CID 138032114
CID 121137676
CID 121137676
CID 121137801
CID 121137801
CID 121137996
CID 121137996
CID 121138114
CID 121138114
CID 122252814
CID 122252814
CID 122253603
CID 122253603
CID 122254089
CID 122254089
CID 122254620
CID 122254620
CID 14641667
CID 14641667
CID 85991076
CID 85991076
CID 121137374
CID 121137374

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-3,3,3-trifluoropropanamide?
The IUPAC name of N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-3,3,3-trifluoropropanamide (CID 122253025) is N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-3,3,3-trifluoropropanamide?
The canonical SMILES for N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-3,3,3-trifluoropropanamide is COc1nc(CNC(=O)CC(F)(F)F)nc(N(C)C)n1.
What is the InChIKey of N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-3,3,3-trifluoropropanamide?
The InChIKey is QINOLZNIHDHLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N5O2/c1-18(2)8-15-6(16-9(17-8)20-3)5-14-7(19)4-10(11,12)13/h4-5H2,1-3H3,(H,14,19).
What are the key properties of N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-3,3,3-trifluoropropanamide?
N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-3,3,3-trifluoropropanamide has a molecular weight of 293.25 g/mol, XLogP of 0.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-3,3,3-trifluoropropanamide is sourced from PubChem (CID 122253025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).