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

C12H22F3N5 — CID 62426486

IUPACN-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCCCN(CCn1cc(CNCC)nn1)CC(F)(F)F
InChIInChI=1S/C12H22F3N5/c1-3-5-19(10-12(13,14)15)6-7-20-9-11(17-18-20)8-16-4-2/h9,16H,3-8,10H2,1-2H3
InChIKeyVSHKHCVRPYXGDJ-UHFFFAOYSA-N
MW293.34 g/mol
LogP1.66
Rot. Bonds9

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

N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 62426486) has the molecular formula C12H22F3N5 and a molecular weight of 293.34 g/mol. Its IUPAC name is N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound NameN-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID62426486
Molecular FormulaC12H22F3N5
Molecular Weight293.34 g/mol
Exact Mass293.18
IUPAC NameN-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCCCN(CCn1cc(CNCC)nn1)CC(F)(F)F
InChIInChI=1S/C12H22F3N5/c1-3-5-19(10-12(13,14)15)6-7-20-9-11(17-18-20)8-16-4-2/h9,16H,3-8,10H2,1-2H3
InChIKeyVSHKHCVRPYXGDJ-UHFFFAOYSA-N
XLogP1.66
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
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

2-(4-Methyl-1H-1,2,3-triazol-1-yl)ethanamine
CID 45791271
N-[(1-ethyltriazol-4-yl)methyl]-N-methylprop-2-yn-1-amine
CID 155544230
(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

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 62426486) is N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)propan-1-amine is CCCN(CCn1cc(CNCC)nn1)CC(F)(F)F.
What is the InChIKey of N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is VSHKHCVRPYXGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3N5/c1-3-5-19(10-12(13,14)15)6-7-20-9-11(17-18-20)8-16-4-2/h9,16H,3-8,10H2,1-2H3.
What are the key properties of N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 293.34 g/mol, XLogP of 1.66, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 62426486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).