(3-amino-1H-pyrazol-5-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

C10H10F3N7O — CID 64582130

IUPAC(3-amino-1H-pyrazol-5-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESNc1cc(C(=O)N2CCn3c(nnc3C(F)(F)F)C2)[nH]n1
InChIInChI=1S/C10H10F3N7O/c11-10(12,13)9-18-17-7-4-19(1-2-20(7)9)8(21)5-3-6(14)16-15-5/h3H,1-2,4H2,(H3,14,15,16)
InChIKeyAQKXSIUDKWXBNQ-UHFFFAOYSA-N
MW301.23 g/mol
LogP0.26
Rot. Bonds1

About (3-amino-1H-pyrazol-5-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

(3-amino-1H-pyrazol-5-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (PubChem CID 64582130) has the molecular formula C10H10F3N7O and a molecular weight of 301.23 g/mol. Its IUPAC name is (3-amino-1H-pyrazol-5-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name(3-amino-1H-pyrazol-5-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
PubChem CID64582130
Molecular FormulaC10H10F3N7O
Molecular Weight301.23 g/mol
Exact Mass301.09
IUPAC Name(3-amino-1H-pyrazol-5-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESNc1cc(C(=O)N2CCn3c(nnc3C(F)(F)F)C2)[nH]n1
InChIInChI=1S/C10H10F3N7O/c11-10(12,13)9-18-17-7-4-19(1-2-20(7)9)8(21)5-3-6(14)16-15-5/h3H,1-2,4H2,(H3,14,15,16)
InChIKeyAQKXSIUDKWXBNQ-UHFFFAOYSA-N
XLogP0.26
TPSA105.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.23
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-amino-1H-pyrazol-5-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The IUPAC name of (3-amino-1H-pyrazol-5-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (CID 64582130) is (3-amino-1H-pyrazol-5-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.
What is the SMILES notation for (3-amino-1H-pyrazol-5-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The canonical SMILES for (3-amino-1H-pyrazol-5-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is Nc1cc(C(=O)N2CCn3c(nnc3C(F)(F)F)C2)[nH]n1.
What is the InChIKey of (3-amino-1H-pyrazol-5-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The InChIKey is AQKXSIUDKWXBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N7O/c11-10(12,13)9-18-17-7-4-19(1-2-20(7)9)8(21)5-3-6(14)16-15-5/h3H,1-2,4H2,(H3,14,15,16).
What are the key properties of (3-amino-1H-pyrazol-5-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
(3-amino-1H-pyrazol-5-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone has a molecular weight of 301.23 g/mol, XLogP of 0.26, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-1H-pyrazol-5-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 64582130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).