N-[[1-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine

C12H22F3N5 — CID 62426985

IUPACN-[[1-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine
SMILESCCN(CCn1cc(CNC(C)C)nn1)CC(F)(F)F
InChIInChI=1S/C12H22F3N5/c1-4-19(9-12(13,14)15)5-6-20-8-11(17-18-20)7-16-10(2)3/h8,10,16H,4-7,9H2,1-3H3
InChIKeyBWDXTWXNPWCWNI-UHFFFAOYSA-N
MW293.34 g/mol
LogP1.66
Rot. Bonds8

About N-[[1-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine

N-[[1-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine (PubChem CID 62426985) has the molecular formula C12H22F3N5 and a molecular weight of 293.34 g/mol. Its IUPAC name is N-[[1-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine
PubChem CID62426985
Molecular FormulaC12H22F3N5
Molecular Weight293.34 g/mol
Exact Mass293.18
IUPAC NameN-[[1-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine
SMILESCCN(CCn1cc(CNC(C)C)nn1)CC(F)(F)F
InChIInChI=1S/C12H22F3N5/c1-4-19(9-12(13,14)15)5-6-20-8-11(17-18-20)7-16-10(2)3/h8,10,16H,4-7,9H2,1-3H3
InChIKeyBWDXTWXNPWCWNI-UHFFFAOYSA-N
XLogP1.66
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1-methyl-1H-1,2,3-triazol-4-yl)methanamine hydrochloride
CID 69061589
methyl[(1-methyl-1H-1,2,3-triazol-4-yl)methyl]amine hydrochloride
CID 122156619
ethyl[(1-methyl-1H-1,2,3-triazol-4-yl)methyl]amine
CID 62755740
1-[[1-[3-[4-(1,5,9-Triazacyclododec-1-ylmethyl)triazol-1-yl]propyl]triazol-4-yl]methyl]-1,5,9-triazacyclododecane
CID 57393419
(1-Methyl-1H-1,2,3-triazol-4-YL)methanamine
CID 54595826
(1-Isopropyl-1H-1,2,3-triazol-4-yl)methanamine
CID 62055376
4-(Trifluoromethyl)-1H-1,2,3-triazole-1-ethanamine
CID 55295499
N-((1-methyl-1H-1,2,3-triazol-4-yl)methyl)cyclopropanamine
CID 62755384
1-[1-(propan-2-yl)-1H-1,2,3-triazol-4-yl]methanamine dihydrochloride
CID 119031929
(1-propyl-1H-1,2,3-triazol-4-yl)methanamine dihydrochloride
CID 126809339
2-(1-methyl-1H-1,2,3-triazol-4-yl)-2-(pyrrolidin-1-yl)ethan-1-amine
CID 126985096
(3S)-3-[(1-tert-butyltriazol-4-yl)methylamino]pentanenitrile
CID 164635373

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine (CID 62426985) is N-[[1-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine is CCN(CCn1cc(CNC(C)C)nn1)CC(F)(F)F.
What is the InChIKey of N-[[1-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine?
The InChIKey is BWDXTWXNPWCWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3N5/c1-4-19(9-12(13,14)15)5-6-20-8-11(17-18-20)7-16-10(2)3/h8,10,16H,4-7,9H2,1-3H3.
What are the key properties of N-[[1-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine?
N-[[1-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine has a molecular weight of 293.34 g/mol, XLogP of 1.66, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 62426985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).