5-[[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]amino]-6-methylpyridin-3-ol

C14H11F2N5O — CID 134589505

IUPAC5-[[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]amino]-6-methylpyridin-3-ol
SMILESCc1ncc(O)cc1Nc1ncn(-c2cc(F)cc(F)c2)n1
InChIInChI=1S/C14H11F2N5O/c1-8-13(5-12(22)6-17-8)19-14-18-7-21(20-14)11-3-9(15)2-10(16)4-11/h2-7,22H,1H3,(H,19,20)
InChIKeyQRLUQDHZQDJBOX-UHFFFAOYSA-N
MW303.27 g/mol
LogP2.70
Rot. Bonds3

About 5-[[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]amino]-6-methylpyridin-3-ol

5-[[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]amino]-6-methylpyridin-3-ol (PubChem CID 134589505) has the molecular formula C14H11F2N5O and a molecular weight of 303.27 g/mol. Its IUPAC name is 5-[[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]amino]-6-methylpyridin-3-ol.

Molecular Properties

Compound Name5-[[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]amino]-6-methylpyridin-3-ol
PubChem CID134589505
Molecular FormulaC14H11F2N5O
Molecular Weight303.27 g/mol
Exact Mass303.09
IUPAC Name5-[[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]amino]-6-methylpyridin-3-ol
SMILESCc1ncc(O)cc1Nc1ncn(-c2cc(F)cc(F)c2)n1
InChIInChI=1S/C14H11F2N5O/c1-8-13(5-12(22)6-17-8)19-14-18-7-21(20-14)11-3-9(15)2-10(16)4-11/h2-7,22H,1H3,(H,19,20)
InChIKeyQRLUQDHZQDJBOX-UHFFFAOYSA-N
XLogP2.70
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]amino]-6-methylpyridin-3-ol?
The IUPAC name of 5-[[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]amino]-6-methylpyridin-3-ol (CID 134589505) is 5-[[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]amino]-6-methylpyridin-3-ol.
What is the SMILES notation for 5-[[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]amino]-6-methylpyridin-3-ol?
The canonical SMILES for 5-[[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]amino]-6-methylpyridin-3-ol is Cc1ncc(O)cc1Nc1ncn(-c2cc(F)cc(F)c2)n1.
What is the InChIKey of 5-[[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]amino]-6-methylpyridin-3-ol?
The InChIKey is QRLUQDHZQDJBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N5O/c1-8-13(5-12(22)6-17-8)19-14-18-7-21(20-14)11-3-9(15)2-10(16)4-11/h2-7,22H,1H3,(H,19,20).
What are the key properties of 5-[[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]amino]-6-methylpyridin-3-ol?
5-[[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]amino]-6-methylpyridin-3-ol has a molecular weight of 303.27 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]amino]-6-methylpyridin-3-ol is sourced from PubChem (CID 134589505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).