4-methyl-6-[1-(oxan-2-ylmethyl)triazol-4-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine

C20H21F3N6O — CID 118271173

IUPAC4-methyl-6-[1-(oxan-2-ylmethyl)triazol-4-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
SMILESCc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2cn(CC3CCCCO3)nn2)c1
InChIInChI=1S/C20H21F3N6O/c1-13-8-16(17-12-29(28-27-17)11-15-4-2-3-7-30-15)25-19(9-13)26-18-10-14(5-6-24-18)20(21,22)23/h5-6,8-10,12,15H,2-4,7,11H2,1H3,(H,24,25,26)
InChIKeyJHROLUBYYLZNIJ-UHFFFAOYSA-N
MW418.42 g/mol
LogP4.38
Rot. Bonds5

About 4-methyl-6-[1-(oxan-2-ylmethyl)triazol-4-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine

4-methyl-6-[1-(oxan-2-ylmethyl)triazol-4-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine (PubChem CID 118271173) has the molecular formula C20H21F3N6O and a molecular weight of 418.42 g/mol. Its IUPAC name is 4-methyl-6-[1-(oxan-2-ylmethyl)triazol-4-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine.

Molecular Properties

Compound Name4-methyl-6-[1-(oxan-2-ylmethyl)triazol-4-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
PubChem CID118271173
Molecular FormulaC20H21F3N6O
Molecular Weight418.42 g/mol
Exact Mass418.17
IUPAC Name4-methyl-6-[1-(oxan-2-ylmethyl)triazol-4-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
SMILESCc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2cn(CC3CCCCO3)nn2)c1
InChIInChI=1S/C20H21F3N6O/c1-13-8-16(17-12-29(28-27-17)11-15-4-2-3-7-30-15)25-19(9-13)26-18-10-14(5-6-24-18)20(21,22)23/h5-6,8-10,12,15H,2-4,7,11H2,1H3,(H,24,25,26)
InChIKeyJHROLUBYYLZNIJ-UHFFFAOYSA-N
XLogP4.38
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.42
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[1-(oxan-2-ylmethyl)triazol-4-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine?
The IUPAC name of 4-methyl-6-[1-(oxan-2-ylmethyl)triazol-4-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine (CID 118271173) is 4-methyl-6-[1-(oxan-2-ylmethyl)triazol-4-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine.
What is the SMILES notation for 4-methyl-6-[1-(oxan-2-ylmethyl)triazol-4-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine?
The canonical SMILES for 4-methyl-6-[1-(oxan-2-ylmethyl)triazol-4-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine is Cc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2cn(CC3CCCCO3)nn2)c1.
What is the InChIKey of 4-methyl-6-[1-(oxan-2-ylmethyl)triazol-4-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine?
The InChIKey is JHROLUBYYLZNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N6O/c1-13-8-16(17-12-29(28-27-17)11-15-4-2-3-7-30-15)25-19(9-13)26-18-10-14(5-6-24-18)20(21,22)23/h5-6,8-10,12,15H,2-4,7,11H2,1H3,(H,24,25,26).
What are the key properties of 4-methyl-6-[1-(oxan-2-ylmethyl)triazol-4-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine?
4-methyl-6-[1-(oxan-2-ylmethyl)triazol-4-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine has a molecular weight of 418.42 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[1-(oxan-2-ylmethyl)triazol-4-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine is sourced from PubChem (CID 118271173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).