N-(4,4,4-trifluorobutan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

C9H10F3N5 — CID 104854605

IUPACN-(4,4,4-trifluorobutan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCC(CC(F)(F)F)Nc1nccn2cnnc12
InChIInChI=1S/C9H10F3N5/c1-6(4-9(10,11)12)15-7-8-16-14-5-17(8)3-2-13-7/h2-3,5-6H,4H2,1H3,(H,13,15)
InChIKeyMNNMKPPWNNWWQI-UHFFFAOYSA-N
MW245.21 g/mol
LogP1.88
Rot. Bonds3

About N-(4,4,4-trifluorobutan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

N-(4,4,4-trifluorobutan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (PubChem CID 104854605) has the molecular formula C9H10F3N5 and a molecular weight of 245.21 g/mol. Its IUPAC name is N-(4,4,4-trifluorobutan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.

Molecular Properties

Compound NameN-(4,4,4-trifluorobutan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
PubChem CID104854605
Molecular FormulaC9H10F3N5
Molecular Weight245.21 g/mol
Exact Mass245.09
IUPAC NameN-(4,4,4-trifluorobutan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCC(CC(F)(F)F)Nc1nccn2cnnc12
InChIInChI=1S/C9H10F3N5/c1-6(4-9(10,11)12)15-7-8-16-14-5-17(8)3-2-13-7/h2-3,5-6H,4H2,1H3,(H,13,15)
InChIKeyMNNMKPPWNNWWQI-UHFFFAOYSA-N
XLogP1.88
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.21
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4,4,4-trifluorobutan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The IUPAC name of N-(4,4,4-trifluorobutan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (CID 104854605) is N-(4,4,4-trifluorobutan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.
What is the SMILES notation for N-(4,4,4-trifluorobutan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The canonical SMILES for N-(4,4,4-trifluorobutan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is CC(CC(F)(F)F)Nc1nccn2cnnc12.
What is the InChIKey of N-(4,4,4-trifluorobutan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The InChIKey is MNNMKPPWNNWWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N5/c1-6(4-9(10,11)12)15-7-8-16-14-5-17(8)3-2-13-7/h2-3,5-6H,4H2,1H3,(H,13,15).
What are the key properties of N-(4,4,4-trifluorobutan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
N-(4,4,4-trifluorobutan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine has a molecular weight of 245.21 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4,4-trifluorobutan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is sourced from PubChem (CID 104854605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).