[4-[1-[[6-(difluoromethoxy)-2-pyridinyl]methyl]triazol-4-yl]-1-methylpyrazol-3-yl]methanamine

C14H15F2N7O — CID 167775598

IUPAC[4-[1-[[6-(difluoromethoxy)-2-pyridinyl]methyl]triazol-4-yl]-1-methylpyrazol-3-yl]methanamine
SMILESCn1cc(-c2cn(Cc3cccc(OC(F)F)n3)nn2)c(CN)n1
InChIInChI=1S/C14H15F2N7O/c1-22-7-10(11(5-17)20-22)12-8-23(21-19-12)6-9-3-2-4-13(18-9)24-14(15)16/h2-4,7-8,14H,5-6,17H2,1H3
InChIKeyFUXWXZPDUFSIRZ-UHFFFAOYSA-N
MW335.32 g/mol
LogP1.18
Rot. Bonds6

About [4-[1-[[6-(difluoromethoxy)-2-pyridinyl]methyl]triazol-4-yl]-1-methylpyrazol-3-yl]methanamine

[4-[1-[[6-(difluoromethoxy)-2-pyridinyl]methyl]triazol-4-yl]-1-methylpyrazol-3-yl]methanamine (PubChem CID 167775598) has the molecular formula C14H15F2N7O and a molecular weight of 335.32 g/mol. Its IUPAC name is [4-[1-[[6-(difluoromethoxy)-2-pyridinyl]methyl]triazol-4-yl]-1-methylpyrazol-3-yl]methanamine.

Molecular Properties

Compound Name[4-[1-[[6-(difluoromethoxy)-2-pyridinyl]methyl]triazol-4-yl]-1-methylpyrazol-3-yl]methanamine
PubChem CID167775598
Molecular FormulaC14H15F2N7O
Molecular Weight335.32 g/mol
Exact Mass335.13
IUPAC Name[4-[1-[[6-(difluoromethoxy)-2-pyridinyl]methyl]triazol-4-yl]-1-methylpyrazol-3-yl]methanamine
SMILESCn1cc(-c2cn(Cc3cccc(OC(F)F)n3)nn2)c(CN)n1
InChIInChI=1S/C14H15F2N7O/c1-22-7-10(11(5-17)20-22)12-8-23(21-19-12)6-9-3-2-4-13(18-9)24-14(15)16/h2-4,7-8,14H,5-6,17H2,1H3
InChIKeyFUXWXZPDUFSIRZ-UHFFFAOYSA-N
XLogP1.18
TPSA96.67 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.32
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [4-[1-[[6-(difluoromethoxy)-2-pyridinyl]methyl]triazol-4-yl]-1-methylpyrazol-3-yl]methanamine?
The IUPAC name of [4-[1-[[6-(difluoromethoxy)-2-pyridinyl]methyl]triazol-4-yl]-1-methylpyrazol-3-yl]methanamine (CID 167775598) is [4-[1-[[6-(difluoromethoxy)-2-pyridinyl]methyl]triazol-4-yl]-1-methylpyrazol-3-yl]methanamine.
What is the SMILES notation for [4-[1-[[6-(difluoromethoxy)-2-pyridinyl]methyl]triazol-4-yl]-1-methylpyrazol-3-yl]methanamine?
The canonical SMILES for [4-[1-[[6-(difluoromethoxy)-2-pyridinyl]methyl]triazol-4-yl]-1-methylpyrazol-3-yl]methanamine is Cn1cc(-c2cn(Cc3cccc(OC(F)F)n3)nn2)c(CN)n1.
What is the InChIKey of [4-[1-[[6-(difluoromethoxy)-2-pyridinyl]methyl]triazol-4-yl]-1-methylpyrazol-3-yl]methanamine?
The InChIKey is FUXWXZPDUFSIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N7O/c1-22-7-10(11(5-17)20-22)12-8-23(21-19-12)6-9-3-2-4-13(18-9)24-14(15)16/h2-4,7-8,14H,5-6,17H2,1H3.
What are the key properties of [4-[1-[[6-(difluoromethoxy)-2-pyridinyl]methyl]triazol-4-yl]-1-methylpyrazol-3-yl]methanamine?
[4-[1-[[6-(difluoromethoxy)-2-pyridinyl]methyl]triazol-4-yl]-1-methylpyrazol-3-yl]methanamine has a molecular weight of 335.32 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-[[6-(difluoromethoxy)-2-pyridinyl]methyl]triazol-4-yl]-1-methylpyrazol-3-yl]methanamine is sourced from PubChem (CID 167775598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).