N'-[6-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine

C12H17F3N4O — CID 75176368

IUPACN'-[6-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
SMILESNCCNc1cc(C(F)(F)F)cc(N2CCOCC2)n1
InChIInChI=1S/C12H17F3N4O/c13-12(14,15)9-7-10(17-2-1-16)18-11(8-9)19-3-5-20-6-4-19/h7-8H,1-6,16H2,(H,17,18)
InChIKeyFAJLXRNSBSTXCI-UHFFFAOYSA-N
MW290.29 g/mol
LogP1.31
Rot. Bonds4

About N'-[6-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine

N'-[6-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine (PubChem CID 75176368) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is N'-[6-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[6-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
PubChem CID75176368
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC NameN'-[6-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
SMILESNCCNc1cc(C(F)(F)F)cc(N2CCOCC2)n1
InChIInChI=1S/C12H17F3N4O/c13-12(14,15)9-7-10(17-2-1-16)18-11(8-9)19-3-5-20-6-4-19/h7-8H,1-6,16H2,(H,17,18)
InChIKeyFAJLXRNSBSTXCI-UHFFFAOYSA-N
XLogP1.31
TPSA63.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-[6-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine?
The IUPAC name of N'-[6-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine (CID 75176368) is N'-[6-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[6-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine?
The canonical SMILES for N'-[6-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine is NCCNc1cc(C(F)(F)F)cc(N2CCOCC2)n1.
What is the InChIKey of N'-[6-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine?
The InChIKey is FAJLXRNSBSTXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c13-12(14,15)9-7-10(17-2-1-16)18-11(8-9)19-3-5-20-6-4-19/h7-8H,1-6,16H2,(H,17,18).
What are the key properties of N'-[6-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine?
N'-[6-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine has a molecular weight of 290.29 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine is sourced from PubChem (CID 75176368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).