N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine

C11H18F3N5 — CID 55073868

IUPACN-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
SMILESCNCc1cn(CCN(CC(F)(F)F)C2CC2)nn1
InChIInChI=1S/C11H18F3N5/c1-15-6-9-7-19(17-16-9)5-4-18(10-2-3-10)8-11(12,13)14/h7,10,15H,2-6,8H2,1H3
InChIKeyWWDQWRNJECCZBX-UHFFFAOYSA-N
MW277.29 g/mol
LogP1.02
Rot. Bonds7

About N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine

N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine (PubChem CID 55073868) has the molecular formula C11H18F3N5 and a molecular weight of 277.29 g/mol. Its IUPAC name is N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
PubChem CID55073868
Molecular FormulaC11H18F3N5
Molecular Weight277.29 g/mol
Exact Mass277.15
IUPAC NameN-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
SMILESCNCc1cn(CCN(CC(F)(F)F)C2CC2)nn1
InChIInChI=1S/C11H18F3N5/c1-15-6-9-7-19(17-16-9)5-4-18(10-2-3-10)8-11(12,13)14/h7,10,15H,2-6,8H2,1H3
InChIKeyWWDQWRNJECCZBX-UHFFFAOYSA-N
XLogP1.02
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-Methyl-1H-1,2,3-triazol-4-YL)methanamine
CID 54595826
(1-Isopropyl-1H-1,2,3-triazol-4-yl)methanamine
CID 62055376
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
methyl[(1-methyl-1H-1,2,3-triazol-4-yl)methyl]amine
CID 55211101
N-[[1-(2-fluoroethyl)triazol-4-yl]methyl]-2,2-dimethylpropan-1-amine
CID 68333475
N-[[1-(2-fluoroethyl)triazol-4-yl]methyl]ethanamine
CID 80698065
1-[1-(3-fluoropropyl)triazol-4-yl]-N-methylmethanamine
CID 81111092
1-(2,2-Difluorocyclopropyl)-4-methyltriazole
CID 124189261
4-(Difluoromethyl)-1,3-di(propan-2-yl)triazol-1-ium
CID 172156560

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The IUPAC name of N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine (CID 55073868) is N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine.
What is the SMILES notation for N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The canonical SMILES for N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine is CNCc1cn(CCN(CC(F)(F)F)C2CC2)nn1.
What is the InChIKey of N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The InChIKey is WWDQWRNJECCZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N5/c1-15-6-9-7-19(17-16-9)5-4-18(10-2-3-10)8-11(12,13)14/h7,10,15H,2-6,8H2,1H3.
What are the key properties of N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine has a molecular weight of 277.29 g/mol, XLogP of 1.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine is sourced from PubChem (CID 55073868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).