7-(difluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

C6H9F2N5 — CID 136840235

IUPAC7-(difluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESNc1nc2n(n1)C(C(F)F)CCN2
InChIInChI=1S/C6H9F2N5/c7-4(8)3-1-2-10-6-11-5(9)12-13(3)6/h3-4H,1-2H2,(H3,9,10,11,12)
InChIKeyOMXCYDBUFSHACY-UHFFFAOYSA-N
MW189.17 g/mol
LogP0.48
Rot. Bonds1

About 7-(difluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

7-(difluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (PubChem CID 136840235) has the molecular formula C6H9F2N5 and a molecular weight of 189.17 g/mol. Its IUPAC name is 7-(difluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name7-(difluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
PubChem CID136840235
Molecular FormulaC6H9F2N5
Molecular Weight189.17 g/mol
Exact Mass189.08
IUPAC Name7-(difluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESNc1nc2n(n1)C(C(F)F)CCN2
InChIInChI=1S/C6H9F2N5/c7-4(8)3-1-2-10-6-11-5(9)12-13(3)6/h3-4H,1-2H2,(H3,9,10,11,12)
InChIKeyOMXCYDBUFSHACY-UHFFFAOYSA-N
XLogP0.48
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 7-(difluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (CID 136840235) is 7-(difluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 7-(difluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 7-(difluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is Nc1nc2n(n1)C(C(F)F)CCN2.
What is the InChIKey of 7-(difluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is OMXCYDBUFSHACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2N5/c7-4(8)3-1-2-10-6-11-5(9)12-13(3)6/h3-4H,1-2H2,(H3,9,10,11,12).
What are the key properties of 7-(difluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
7-(difluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 189.17 g/mol, XLogP of 0.48, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 136840235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).