6-[5-(aminomethyl)-1-methyltriazol-4-yl]-2-(trifluoromethyl)pyridin-3-ol

C10H10F3N5O — CID 155007711

IUPAC6-[5-(aminomethyl)-1-methyltriazol-4-yl]-2-(trifluoromethyl)pyridin-3-ol
SMILESCn1nnc(-c2ccc(O)c(C(F)(F)F)n2)c1CN
InChIInChI=1S/C10H10F3N5O/c1-18-6(4-14)8(16-17-18)5-2-3-7(19)9(15-5)10(11,12)13/h2-3,19H,4,14H2,1H3
InChIKeyZTMPVNDUBUDDCO-UHFFFAOYSA-N
MW273.22 g/mol
LogP1.06
Rot. Bonds2

About 6-[5-(aminomethyl)-1-methyltriazol-4-yl]-2-(trifluoromethyl)pyridin-3-ol

6-[5-(aminomethyl)-1-methyltriazol-4-yl]-2-(trifluoromethyl)pyridin-3-ol (PubChem CID 155007711) has the molecular formula C10H10F3N5O and a molecular weight of 273.22 g/mol. Its IUPAC name is 6-[5-(aminomethyl)-1-methyltriazol-4-yl]-2-(trifluoromethyl)pyridin-3-ol.

Molecular Properties

Compound Name6-[5-(aminomethyl)-1-methyltriazol-4-yl]-2-(trifluoromethyl)pyridin-3-ol
PubChem CID155007711
Molecular FormulaC10H10F3N5O
Molecular Weight273.22 g/mol
Exact Mass273.08
IUPAC Name6-[5-(aminomethyl)-1-methyltriazol-4-yl]-2-(trifluoromethyl)pyridin-3-ol
SMILESCn1nnc(-c2ccc(O)c(C(F)(F)F)n2)c1CN
InChIInChI=1S/C10H10F3N5O/c1-18-6(4-14)8(16-17-18)5-2-3-7(19)9(15-5)10(11,12)13/h2-3,19H,4,14H2,1H3
InChIKeyZTMPVNDUBUDDCO-UHFFFAOYSA-N
XLogP1.06
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.22
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(aminomethyl)-1-methyltriazol-4-yl]-2-(trifluoromethyl)pyridin-3-ol?
The IUPAC name of 6-[5-(aminomethyl)-1-methyltriazol-4-yl]-2-(trifluoromethyl)pyridin-3-ol (CID 155007711) is 6-[5-(aminomethyl)-1-methyltriazol-4-yl]-2-(trifluoromethyl)pyridin-3-ol.
What is the SMILES notation for 6-[5-(aminomethyl)-1-methyltriazol-4-yl]-2-(trifluoromethyl)pyridin-3-ol?
The canonical SMILES for 6-[5-(aminomethyl)-1-methyltriazol-4-yl]-2-(trifluoromethyl)pyridin-3-ol is Cn1nnc(-c2ccc(O)c(C(F)(F)F)n2)c1CN.
What is the InChIKey of 6-[5-(aminomethyl)-1-methyltriazol-4-yl]-2-(trifluoromethyl)pyridin-3-ol?
The InChIKey is ZTMPVNDUBUDDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5O/c1-18-6(4-14)8(16-17-18)5-2-3-7(19)9(15-5)10(11,12)13/h2-3,19H,4,14H2,1H3.
What are the key properties of 6-[5-(aminomethyl)-1-methyltriazol-4-yl]-2-(trifluoromethyl)pyridin-3-ol?
6-[5-(aminomethyl)-1-methyltriazol-4-yl]-2-(trifluoromethyl)pyridin-3-ol has a molecular weight of 273.22 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(aminomethyl)-1-methyltriazol-4-yl]-2-(trifluoromethyl)pyridin-3-ol is sourced from PubChem (CID 155007711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).