N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methyl]cyclopropanamine

C11H14F2N6 — CID 66191661

IUPACN-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methyl]cyclopropanamine
SMILESFC(F)n1ccnc1Cn1cc(CNC2CC2)nn1
InChIInChI=1S/C11H14F2N6/c12-11(13)19-4-3-14-10(19)7-18-6-9(16-17-18)5-15-8-1-2-8/h3-4,6,8,11,15H,1-2,5,7H2
InChIKeyOBVQJWNOMBWPDZ-UHFFFAOYSA-N
MW268.27 g/mol
LogP1.17
Rot. Bonds6

About N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methyl]cyclopropanamine

N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methyl]cyclopropanamine (PubChem CID 66191661) has the molecular formula C11H14F2N6 and a molecular weight of 268.27 g/mol. Its IUPAC name is N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methyl]cyclopropanamine
PubChem CID66191661
Molecular FormulaC11H14F2N6
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC NameN-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methyl]cyclopropanamine
SMILESFC(F)n1ccnc1Cn1cc(CNC2CC2)nn1
InChIInChI=1S/C11H14F2N6/c12-11(13)19-4-3-14-10(19)7-18-6-9(16-17-18)5-15-8-1-2-8/h3-4,6,8,11,15H,1-2,5,7H2
InChIKeyOBVQJWNOMBWPDZ-UHFFFAOYSA-N
XLogP1.17
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methyl]cyclopropanamine (CID 66191661) is N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methyl]cyclopropanamine is FC(F)n1ccnc1Cn1cc(CNC2CC2)nn1.
What is the InChIKey of N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methyl]cyclopropanamine?
The InChIKey is OBVQJWNOMBWPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N6/c12-11(13)19-4-3-14-10(19)7-18-6-9(16-17-18)5-15-8-1-2-8/h3-4,6,8,11,15H,1-2,5,7H2.
What are the key properties of N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methyl]cyclopropanamine?
N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methyl]cyclopropanamine has a molecular weight of 268.27 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 66191661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).