6-[4-(1,1,3-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]pyridin-2-amine

C10H10F3N5 — CID 175561679

IUPAC6-[4-(1,1,3-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]pyridin-2-amine
SMILESNc1cccc(-c2nncn2C(CF)C(F)F)n1
InChIInChI=1S/C10H10F3N5/c11-4-7(9(12)13)18-5-15-17-10(18)6-2-1-3-8(14)16-6/h1-3,5,7,9H,4H2,(H2,14,16)
InChIKeyNAZQKSYXEHUOBO-UHFFFAOYSA-N
MW257.22 g/mol
LogP1.70
Rot. Bonds4

About 6-[4-(1,1,3-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]pyridin-2-amine

6-[4-(1,1,3-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]pyridin-2-amine (PubChem CID 175561679) has the molecular formula C10H10F3N5 and a molecular weight of 257.22 g/mol. Its IUPAC name is 6-[4-(1,1,3-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name6-[4-(1,1,3-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]pyridin-2-amine
PubChem CID175561679
Molecular FormulaC10H10F3N5
Molecular Weight257.22 g/mol
Exact Mass257.09
IUPAC Name6-[4-(1,1,3-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]pyridin-2-amine
SMILESNc1cccc(-c2nncn2C(CF)C(F)F)n1
InChIInChI=1S/C10H10F3N5/c11-4-7(9(12)13)18-5-15-17-10(18)6-2-1-3-8(14)16-6/h1-3,5,7,9H,4H2,(H2,14,16)
InChIKeyNAZQKSYXEHUOBO-UHFFFAOYSA-N
XLogP1.70
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(1,1,3-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]pyridin-2-amine?
The IUPAC name of 6-[4-(1,1,3-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]pyridin-2-amine (CID 175561679) is 6-[4-(1,1,3-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]pyridin-2-amine.
What is the SMILES notation for 6-[4-(1,1,3-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]pyridin-2-amine?
The canonical SMILES for 6-[4-(1,1,3-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]pyridin-2-amine is Nc1cccc(-c2nncn2C(CF)C(F)F)n1.
What is the InChIKey of 6-[4-(1,1,3-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]pyridin-2-amine?
The InChIKey is NAZQKSYXEHUOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5/c11-4-7(9(12)13)18-5-15-17-10(18)6-2-1-3-8(14)16-6/h1-3,5,7,9H,4H2,(H2,14,16).
What are the key properties of 6-[4-(1,1,3-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]pyridin-2-amine?
6-[4-(1,1,3-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]pyridin-2-amine has a molecular weight of 257.22 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1,1,3-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]pyridin-2-amine is sourced from PubChem (CID 175561679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).