N-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methyl]-1-methylimidazol-2-amine

C14H13F3N6O — CID 130309371

IUPACN-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methyl]-1-methylimidazol-2-amine
SMILESCn1ccnc1NCc1cn(-c2ccc(F)c(OC(F)F)c2)nn1
InChIInChI=1S/C14H13F3N6O/c1-22-5-4-18-14(22)19-7-9-8-23(21-20-9)10-2-3-11(15)12(6-10)24-13(16)17/h2-6,8,13H,7H2,1H3,(H,18,19)
InChIKeyAQWHNTMKFNSEPW-UHFFFAOYSA-N
MW338.29 g/mol
LogP2.35
Rot. Bonds6

About N-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methyl]-1-methylimidazol-2-amine

N-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methyl]-1-methylimidazol-2-amine (PubChem CID 130309371) has the molecular formula C14H13F3N6O and a molecular weight of 338.29 g/mol. Its IUPAC name is N-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methyl]-1-methylimidazol-2-amine.

Molecular Properties

Compound NameN-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methyl]-1-methylimidazol-2-amine
PubChem CID130309371
Molecular FormulaC14H13F3N6O
Molecular Weight338.29 g/mol
Exact Mass338.11
IUPAC NameN-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methyl]-1-methylimidazol-2-amine
SMILESCn1ccnc1NCc1cn(-c2ccc(F)c(OC(F)F)c2)nn1
InChIInChI=1S/C14H13F3N6O/c1-22-5-4-18-14(22)19-7-9-8-23(21-20-9)10-2-3-11(15)12(6-10)24-13(16)17/h2-6,8,13H,7H2,1H3,(H,18,19)
InChIKeyAQWHNTMKFNSEPW-UHFFFAOYSA-N
XLogP2.35
TPSA69.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methyl]-1-methylimidazol-2-amine?
The IUPAC name of N-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methyl]-1-methylimidazol-2-amine (CID 130309371) is N-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methyl]-1-methylimidazol-2-amine.
What is the SMILES notation for N-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methyl]-1-methylimidazol-2-amine?
The canonical SMILES for N-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methyl]-1-methylimidazol-2-amine is Cn1ccnc1NCc1cn(-c2ccc(F)c(OC(F)F)c2)nn1.
What is the InChIKey of N-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methyl]-1-methylimidazol-2-amine?
The InChIKey is AQWHNTMKFNSEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N6O/c1-22-5-4-18-14(22)19-7-9-8-23(21-20-9)10-2-3-11(15)12(6-10)24-13(16)17/h2-6,8,13H,7H2,1H3,(H,18,19).
What are the key properties of N-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methyl]-1-methylimidazol-2-amine?
N-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methyl]-1-methylimidazol-2-amine has a molecular weight of 338.29 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methyl]-1-methylimidazol-2-amine is sourced from PubChem (CID 130309371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).