N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(5-methylpyrazin-2-yl)methanamine

C11H13F2N5 — CID 62848104

IUPACN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(5-methylpyrazin-2-yl)methanamine
SMILESCc1cnc(CNCc2nccn2C(F)F)cn1
InChIInChI=1S/C11H13F2N5/c1-8-4-17-9(6-16-8)5-14-7-10-15-2-3-18(10)11(12)13/h2-4,6,11,14H,5,7H2,1H3
InChIKeyYMEPMUWPYOMLQG-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.67
Rot. Bonds5

About N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(5-methylpyrazin-2-yl)methanamine

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(5-methylpyrazin-2-yl)methanamine (PubChem CID 62848104) has the molecular formula C11H13F2N5 and a molecular weight of 253.26 g/mol. Its IUPAC name is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(5-methylpyrazin-2-yl)methanamine.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(5-methylpyrazin-2-yl)methanamine
PubChem CID62848104
Molecular FormulaC11H13F2N5
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(5-methylpyrazin-2-yl)methanamine
SMILESCc1cnc(CNCc2nccn2C(F)F)cn1
InChIInChI=1S/C11H13F2N5/c1-8-4-17-9(6-16-8)5-14-7-10-15-2-3-18(10)11(12)13/h2-4,6,11,14H,5,7H2,1H3
InChIKeyYMEPMUWPYOMLQG-UHFFFAOYSA-N
XLogP1.67
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(5-methylpyrazin-2-yl)methanamine?
The IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(5-methylpyrazin-2-yl)methanamine (CID 62848104) is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(5-methylpyrazin-2-yl)methanamine.
What is the SMILES notation for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(5-methylpyrazin-2-yl)methanamine?
The canonical SMILES for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(5-methylpyrazin-2-yl)methanamine is Cc1cnc(CNCc2nccn2C(F)F)cn1.
What is the InChIKey of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(5-methylpyrazin-2-yl)methanamine?
The InChIKey is YMEPMUWPYOMLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N5/c1-8-4-17-9(6-16-8)5-14-7-10-15-2-3-18(10)11(12)13/h2-4,6,11,14H,5,7H2,1H3.
What are the key properties of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(5-methylpyrazin-2-yl)methanamine?
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(5-methylpyrazin-2-yl)methanamine has a molecular weight of 253.26 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(5-methylpyrazin-2-yl)methanamine is sourced from PubChem (CID 62848104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).