5-(difluoromethyl)-N-[2-(1H-pyrazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C11H11F2N7 — CID 138008337

IUPAC5-(difluoromethyl)-N-[2-(1H-pyrazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESFC(F)c1cc(NCCc2ccn[nH]2)n2ncnc2n1
InChIInChI=1S/C11H11F2N7/c12-10(13)8-5-9(20-11(18-8)15-6-17-20)14-3-1-7-2-4-16-19-7/h2,4-6,10,14H,1,3H2,(H,16,19)
InChIKeyFKNYLXPMODXSBY-UHFFFAOYSA-N
MW279.25 g/mol
LogP1.44
Rot. Bonds5

About 5-(difluoromethyl)-N-[2-(1H-pyrazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5-(difluoromethyl)-N-[2-(1H-pyrazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 138008337) has the molecular formula C11H11F2N7 and a molecular weight of 279.25 g/mol. Its IUPAC name is 5-(difluoromethyl)-N-[2-(1H-pyrazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-(difluoromethyl)-N-[2-(1H-pyrazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID138008337
Molecular FormulaC11H11F2N7
Molecular Weight279.25 g/mol
Exact Mass279.10
IUPAC Name5-(difluoromethyl)-N-[2-(1H-pyrazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESFC(F)c1cc(NCCc2ccn[nH]2)n2ncnc2n1
InChIInChI=1S/C11H11F2N7/c12-10(13)8-5-9(20-11(18-8)15-6-17-20)14-3-1-7-2-4-16-19-7/h2,4-6,10,14H,1,3H2,(H,16,19)
InChIKeyFKNYLXPMODXSBY-UHFFFAOYSA-N
XLogP1.44
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.25
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-N-[2-(1H-pyrazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-(difluoromethyl)-N-[2-(1H-pyrazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 138008337) is 5-(difluoromethyl)-N-[2-(1H-pyrazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-(difluoromethyl)-N-[2-(1H-pyrazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-(difluoromethyl)-N-[2-(1H-pyrazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is FC(F)c1cc(NCCc2ccn[nH]2)n2ncnc2n1.
What is the InChIKey of 5-(difluoromethyl)-N-[2-(1H-pyrazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is FKNYLXPMODXSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N7/c12-10(13)8-5-9(20-11(18-8)15-6-17-20)14-3-1-7-2-4-16-19-7/h2,4-6,10,14H,1,3H2,(H,16,19).
What are the key properties of 5-(difluoromethyl)-N-[2-(1H-pyrazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-(difluoromethyl)-N-[2-(1H-pyrazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 279.25 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-N-[2-(1H-pyrazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 138008337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).