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

C15H12F3N5O — CID 86793882

IUPACN-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine
SMILESFc1cc(CNc2cccnc2-n2cncn2)ccc1OC(F)F
InChIInChI=1S/C15H12F3N5O/c16-11-6-10(3-4-13(11)24-15(17)18)7-21-12-2-1-5-20-14(12)23-9-19-8-22-23/h1-6,8-9,15,21H,7H2
InChIKeySNUWEDYYOHDPKG-UHFFFAOYSA-N
MW335.29 g/mol
LogP3.01
Rot. Bonds6

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

N-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine (PubChem CID 86793882) has the molecular formula C15H12F3N5O and a molecular weight of 335.29 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine
PubChem CID86793882
Molecular FormulaC15H12F3N5O
Molecular Weight335.29 g/mol
Exact Mass335.10
IUPAC NameN-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine
SMILESFc1cc(CNc2cccnc2-n2cncn2)ccc1OC(F)F
InChIInChI=1S/C15H12F3N5O/c16-11-6-10(3-4-13(11)24-15(17)18)7-21-12-2-1-5-20-14(12)23-9-19-8-22-23/h1-6,8-9,15,21H,7H2
InChIKeySNUWEDYYOHDPKG-UHFFFAOYSA-N
XLogP3.01
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.29
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3,5-difluorophenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 104819669
N-[(4-ethylphenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 61166356
N-[(4-bromophenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 61167896
3-[[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]methyl]phenol
CID 61168294
N-[(3-chloro-4-methylphenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 106816674
N-[(4-bromo-2-fluorophenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 61167521
N-(pyridin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 61167331
N-[(1-ethylpyrazol-4-yl)methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 104819670
N-(pyrazin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 62762369
2-(difluoromethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]aniline
CID 43235541
N-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 103848215
N-[(4,5-dibromothiophen-2-yl)methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 102834829

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine?
The IUPAC name of N-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine (CID 86793882) is N-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine.
What is the SMILES notation for N-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine?
The canonical SMILES for N-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine is Fc1cc(CNc2cccnc2-n2cncn2)ccc1OC(F)F.
What is the InChIKey of N-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine?
The InChIKey is SNUWEDYYOHDPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N5O/c16-11-6-10(3-4-13(11)24-15(17)18)7-21-12-2-1-5-20-14(12)23-9-19-8-22-23/h1-6,8-9,15,21H,7H2.
What are the key properties of N-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine?
N-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine has a molecular weight of 335.29 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine is sourced from PubChem (CID 86793882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).