N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(1-methyl-1,2,4-triazol-3-yl)methanamine

C9H12F2N6 — CID 103884427

IUPACN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(1-methyl-1,2,4-triazol-3-yl)methanamine
SMILESCn1cnc(CNCc2nccn2C(F)F)n1
InChIInChI=1S/C9H12F2N6/c1-16-6-14-7(15-16)4-12-5-8-13-2-3-17(8)9(10)11/h2-3,6,9,12H,4-5H2,1H3
InChIKeySHRCJYSMUXCEPU-UHFFFAOYSA-N
MW242.23 g/mol
LogP0.70
Rot. Bonds5

About N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(1-methyl-1,2,4-triazol-3-yl)methanamine

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(1-methyl-1,2,4-triazol-3-yl)methanamine (PubChem CID 103884427) has the molecular formula C9H12F2N6 and a molecular weight of 242.23 g/mol. Its IUPAC name is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(1-methyl-1,2,4-triazol-3-yl)methanamine.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(1-methyl-1,2,4-triazol-3-yl)methanamine
PubChem CID103884427
Molecular FormulaC9H12F2N6
Molecular Weight242.23 g/mol
Exact Mass242.11
IUPAC NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(1-methyl-1,2,4-triazol-3-yl)methanamine
SMILESCn1cnc(CNCc2nccn2C(F)F)n1
InChIInChI=1S/C9H12F2N6/c1-16-6-14-7(15-16)4-12-5-8-13-2-3-17(8)9(10)11/h2-3,6,9,12H,4-5H2,1H3
InChIKeySHRCJYSMUXCEPU-UHFFFAOYSA-N
XLogP0.70
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(1-methyl-1,2,4-triazol-3-yl)methanamine?
The IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(1-methyl-1,2,4-triazol-3-yl)methanamine (CID 103884427) is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(1-methyl-1,2,4-triazol-3-yl)methanamine.
What is the SMILES notation for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(1-methyl-1,2,4-triazol-3-yl)methanamine?
The canonical SMILES for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(1-methyl-1,2,4-triazol-3-yl)methanamine is Cn1cnc(CNCc2nccn2C(F)F)n1.
What is the InChIKey of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(1-methyl-1,2,4-triazol-3-yl)methanamine?
The InChIKey is SHRCJYSMUXCEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N6/c1-16-6-14-7(15-16)4-12-5-8-13-2-3-17(8)9(10)11/h2-3,6,9,12H,4-5H2,1H3.
What are the key properties of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(1-methyl-1,2,4-triazol-3-yl)methanamine?
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(1-methyl-1,2,4-triazol-3-yl)methanamine has a molecular weight of 242.23 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(1-methyl-1,2,4-triazol-3-yl)methanamine is sourced from PubChem (CID 103884427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).