[3-[(6-methoxy-3-pyridinyl)amino]-1H-1,2,4-triazol-5-yl]-[3-(trifluoromethyl)phenyl]methanol

C16H14F3N5O2 — CID 134806038

IUPAC[3-[(6-methoxy-3-pyridinyl)amino]-1H-1,2,4-triazol-5-yl]-[3-(trifluoromethyl)phenyl]methanol
SMILESCOc1ccc(Nc2n[nH]c(C(O)c3cccc(C(F)(F)F)c3)n2)cn1
InChIInChI=1S/C16H14F3N5O2/c1-26-12-6-5-11(8-20-12)21-15-22-14(23-24-15)13(25)9-3-2-4-10(7-9)16(17,18)19/h2-8,13,25H,1H3,(H2,21,22,23,24)
InChIKeyMIENRDHMSOVVMX-UHFFFAOYSA-N
MW365.32 g/mol
LogP3.05
Rot. Bonds5

About [3-[(6-methoxy-3-pyridinyl)amino]-1H-1,2,4-triazol-5-yl]-[3-(trifluoromethyl)phenyl]methanol

[3-[(6-methoxy-3-pyridinyl)amino]-1H-1,2,4-triazol-5-yl]-[3-(trifluoromethyl)phenyl]methanol (PubChem CID 134806038) has the molecular formula C16H14F3N5O2 and a molecular weight of 365.32 g/mol. Its IUPAC name is [3-[(6-methoxy-3-pyridinyl)amino]-1H-1,2,4-triazol-5-yl]-[3-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name[3-[(6-methoxy-3-pyridinyl)amino]-1H-1,2,4-triazol-5-yl]-[3-(trifluoromethyl)phenyl]methanol
PubChem CID134806038
Molecular FormulaC16H14F3N5O2
Molecular Weight365.32 g/mol
Exact Mass365.11
IUPAC Name[3-[(6-methoxy-3-pyridinyl)amino]-1H-1,2,4-triazol-5-yl]-[3-(trifluoromethyl)phenyl]methanol
SMILESCOc1ccc(Nc2n[nH]c(C(O)c3cccc(C(F)(F)F)c3)n2)cn1
InChIInChI=1S/C16H14F3N5O2/c1-26-12-6-5-11(8-20-12)21-15-22-14(23-24-15)13(25)9-3-2-4-10(7-9)16(17,18)19/h2-8,13,25H,1H3,(H2,21,22,23,24)
InChIKeyMIENRDHMSOVVMX-UHFFFAOYSA-N
XLogP3.05
TPSA95.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.32
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[(6-methoxy-3-pyridinyl)amino]-1H-1,2,4-triazol-5-yl]-[3-(trifluoromethyl)phenyl]methanol?
The IUPAC name of [3-[(6-methoxy-3-pyridinyl)amino]-1H-1,2,4-triazol-5-yl]-[3-(trifluoromethyl)phenyl]methanol (CID 134806038) is [3-[(6-methoxy-3-pyridinyl)amino]-1H-1,2,4-triazol-5-yl]-[3-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for [3-[(6-methoxy-3-pyridinyl)amino]-1H-1,2,4-triazol-5-yl]-[3-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for [3-[(6-methoxy-3-pyridinyl)amino]-1H-1,2,4-triazol-5-yl]-[3-(trifluoromethyl)phenyl]methanol is COc1ccc(Nc2n[nH]c(C(O)c3cccc(C(F)(F)F)c3)n2)cn1.
What is the InChIKey of [3-[(6-methoxy-3-pyridinyl)amino]-1H-1,2,4-triazol-5-yl]-[3-(trifluoromethyl)phenyl]methanol?
The InChIKey is MIENRDHMSOVVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N5O2/c1-26-12-6-5-11(8-20-12)21-15-22-14(23-24-15)13(25)9-3-2-4-10(7-9)16(17,18)19/h2-8,13,25H,1H3,(H2,21,22,23,24).
What are the key properties of [3-[(6-methoxy-3-pyridinyl)amino]-1H-1,2,4-triazol-5-yl]-[3-(trifluoromethyl)phenyl]methanol?
[3-[(6-methoxy-3-pyridinyl)amino]-1H-1,2,4-triazol-5-yl]-[3-(trifluoromethyl)phenyl]methanol has a molecular weight of 365.32 g/mol, XLogP of 3.05, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(6-methoxy-3-pyridinyl)amino]-1H-1,2,4-triazol-5-yl]-[3-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 134806038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).