N-(1H-1,2,4-triazol-5-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine

C10H8F3N7 — CID 104730825

IUPACN-(1H-1,2,4-triazol-5-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESFC(F)(F)c1cc2c(NCc3ncn[nH]3)nccn2n1
InChIInChI=1S/C10H8F3N7/c11-10(12,13)7-3-6-9(14-1-2-20(6)19-7)15-4-8-16-5-17-18-8/h1-3,5H,4H2,(H,14,15)(H,16,17,18)
InChIKeyWRLIWJHZMJFROC-UHFFFAOYSA-N
MW283.22 g/mol
LogP1.48
Rot. Bonds3

About N-(1H-1,2,4-triazol-5-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine

N-(1H-1,2,4-triazol-5-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 104730825) has the molecular formula C10H8F3N7 and a molecular weight of 283.22 g/mol. Its IUPAC name is N-(1H-1,2,4-triazol-5-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound NameN-(1H-1,2,4-triazol-5-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
PubChem CID104730825
Molecular FormulaC10H8F3N7
Molecular Weight283.22 g/mol
Exact Mass283.08
IUPAC NameN-(1H-1,2,4-triazol-5-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESFC(F)(F)c1cc2c(NCc3ncn[nH]3)nccn2n1
InChIInChI=1S/C10H8F3N7/c11-10(12,13)7-3-6-9(14-1-2-20(6)19-7)15-4-8-16-5-17-18-8/h1-3,5H,4H2,(H,14,15)(H,16,17,18)
InChIKeyWRLIWJHZMJFROC-UHFFFAOYSA-N
XLogP1.48
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.22
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1H-1,2,4-triazol-5-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of N-(1H-1,2,4-triazol-5-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine (CID 104730825) is N-(1H-1,2,4-triazol-5-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for N-(1H-1,2,4-triazol-5-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for N-(1H-1,2,4-triazol-5-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine is FC(F)(F)c1cc2c(NCc3ncn[nH]3)nccn2n1.
What is the InChIKey of N-(1H-1,2,4-triazol-5-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is WRLIWJHZMJFROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N7/c11-10(12,13)7-3-6-9(14-1-2-20(6)19-7)15-4-8-16-5-17-18-8/h1-3,5H,4H2,(H,14,15)(H,16,17,18).
What are the key properties of N-(1H-1,2,4-triazol-5-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine?
N-(1H-1,2,4-triazol-5-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 283.22 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-1,2,4-triazol-5-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 104730825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).