N-[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]-2-ethyl-5-propan-2-yloxypyridin-3-amine

C18H19F2N5O — CID 134589963

IUPACN-[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]-2-ethyl-5-propan-2-yloxypyridin-3-amine
SMILESCCc1ncc(OC(C)C)cc1Nc1ncn(-c2cc(F)cc(F)c2)n1
InChIInChI=1S/C18H19F2N5O/c1-4-16-17(8-15(9-21-16)26-11(2)3)23-18-22-10-25(24-18)14-6-12(19)5-13(20)7-14/h5-11H,4H2,1-3H3,(H,23,24)
InChIKeyPKCAZVYLOREOCF-UHFFFAOYSA-N
MW359.38 g/mol
LogP4.03
Rot. Bonds6

About N-[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]-2-ethyl-5-propan-2-yloxypyridin-3-amine

N-[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]-2-ethyl-5-propan-2-yloxypyridin-3-amine (PubChem CID 134589963) has the molecular formula C18H19F2N5O and a molecular weight of 359.38 g/mol. Its IUPAC name is N-[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]-2-ethyl-5-propan-2-yloxypyridin-3-amine.

Molecular Properties

Compound NameN-[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]-2-ethyl-5-propan-2-yloxypyridin-3-amine
PubChem CID134589963
Molecular FormulaC18H19F2N5O
Molecular Weight359.38 g/mol
Exact Mass359.16
IUPAC NameN-[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]-2-ethyl-5-propan-2-yloxypyridin-3-amine
SMILESCCc1ncc(OC(C)C)cc1Nc1ncn(-c2cc(F)cc(F)c2)n1
InChIInChI=1S/C18H19F2N5O/c1-4-16-17(8-15(9-21-16)26-11(2)3)23-18-22-10-25(24-18)14-6-12(19)5-13(20)7-14/h5-11H,4H2,1-3H3,(H,23,24)
InChIKeyPKCAZVYLOREOCF-UHFFFAOYSA-N
XLogP4.03
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-fluoro-5-propan-2-yloxyphenyl)-1-phenyl-1,2,4-triazol-3-amine
CID 134589402
1-(3-fluorophenyl)-N-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-amine
CID 134589818
1-(3,5-difluorophenyl)-N-(3-ethoxyphenyl)-1,2,4-triazol-3-amine
CID 134589675
1-[3-[[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]amino]-2-fluorophenyl]ethanol
CID 134590165
N-[3-(2,2-difluoroethoxy)-5-methylphenyl]-1-(3,5-difluorophenyl)-1,2,4-triazol-3-amine
CID 134589532
1-(3,5-difluorophenyl)-N-(3,4-dimethylphenyl)-1,2,4-triazol-3-amine
CID 142371450
1-phenyl-N-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-amine
CID 11770857
1-N-[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]-3-N-[(2S)-3-methoxybutan-2-yl]-5-methylbenzene-1,3-diamine
CID 134606261
N-[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]-2-methyl-5-[(1-methylpiperidin-4-yl)methyl]pyridin-3-amine
CID 134589684
3-N-[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]-1-N-(2-methoxyethyl)-5-methylbenzene-1,3-diamine
CID 142371440
3-[2-[5-[[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]amino]-6-methyl-3-pyridinyl]ethyl]oxetan-3-ol
CID 134589796
N-(3-methyl-5-propan-2-yloxyphenyl)-1-pyridin-3-yl-1,2,4-triazol-3-amine
CID 134589901

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]-2-ethyl-5-propan-2-yloxypyridin-3-amine?
The IUPAC name of N-[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]-2-ethyl-5-propan-2-yloxypyridin-3-amine (CID 134589963) is N-[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]-2-ethyl-5-propan-2-yloxypyridin-3-amine.
What is the SMILES notation for N-[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]-2-ethyl-5-propan-2-yloxypyridin-3-amine?
The canonical SMILES for N-[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]-2-ethyl-5-propan-2-yloxypyridin-3-amine is CCc1ncc(OC(C)C)cc1Nc1ncn(-c2cc(F)cc(F)c2)n1.
What is the InChIKey of N-[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]-2-ethyl-5-propan-2-yloxypyridin-3-amine?
The InChIKey is PKCAZVYLOREOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N5O/c1-4-16-17(8-15(9-21-16)26-11(2)3)23-18-22-10-25(24-18)14-6-12(19)5-13(20)7-14/h5-11H,4H2,1-3H3,(H,23,24).
What are the key properties of N-[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]-2-ethyl-5-propan-2-yloxypyridin-3-amine?
N-[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]-2-ethyl-5-propan-2-yloxypyridin-3-amine has a molecular weight of 359.38 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]-2-ethyl-5-propan-2-yloxypyridin-3-amine is sourced from PubChem (CID 134589963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).