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

C14H11F3N6O — CID 130309397

IUPACN-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methyl]pyrimidin-2-amine
SMILESFc1ccc(-n2cc(CNc3ncccn3)nn2)cc1OC(F)F
InChIInChI=1S/C14H11F3N6O/c15-11-3-2-10(6-12(11)24-13(16)17)23-8-9(21-22-23)7-20-14-18-4-1-5-19-14/h1-6,8,13H,7H2,(H,18,19,20)
InChIKeyVADZTQIJDPWXPG-UHFFFAOYSA-N
MW336.28 g/mol
LogP2.41
Rot. Bonds6

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

N-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methyl]pyrimidin-2-amine (PubChem CID 130309397) has the molecular formula C14H11F3N6O and a molecular weight of 336.28 g/mol. Its IUPAC name is N-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methyl]pyrimidin-2-amine
PubChem CID130309397
Molecular FormulaC14H11F3N6O
Molecular Weight336.28 g/mol
Exact Mass336.09
IUPAC NameN-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methyl]pyrimidin-2-amine
SMILESFc1ccc(-n2cc(CNc3ncccn3)nn2)cc1OC(F)F
InChIInChI=1S/C14H11F3N6O/c15-11-3-2-10(6-12(11)24-13(16)17)23-8-9(21-22-23)7-20-14-18-4-1-5-19-14/h1-6,8,13H,7H2,(H,18,19,20)
InChIKeyVADZTQIJDPWXPG-UHFFFAOYSA-N
XLogP2.41
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.28
LogP ≤ 52.41
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]pyrimidin-2-amine?
The IUPAC name of N-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methyl]pyrimidin-2-amine (CID 130309397) is N-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for N-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for N-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methyl]pyrimidin-2-amine is Fc1ccc(-n2cc(CNc3ncccn3)nn2)cc1OC(F)F.
What is the InChIKey of N-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methyl]pyrimidin-2-amine?
The InChIKey is VADZTQIJDPWXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N6O/c15-11-3-2-10(6-12(11)24-13(16)17)23-8-9(21-22-23)7-20-14-18-4-1-5-19-14/h1-6,8,13H,7H2,(H,18,19,20).
What are the key properties of N-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methyl]pyrimidin-2-amine?
N-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methyl]pyrimidin-2-amine has a molecular weight of 336.28 g/mol, XLogP of 2.41, 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]pyrimidin-2-amine is sourced from PubChem (CID 130309397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).