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

C8H9F2N5 — CID 79099068

IUPACN-(2,2-difluoroethyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCc1nnc2c(NCC(F)F)nccn12
InChIInChI=1S/C8H9F2N5/c1-5-13-14-8-7(12-4-6(9)10)11-2-3-15(5)8/h2-3,6H,4H2,1H3,(H,11,12)
InChIKeySHZMTHDAFLPNAI-UHFFFAOYSA-N
MW213.19 g/mol
LogP1.11
Rot. Bonds3

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

N-(2,2-difluoroethyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (PubChem CID 79099068) has the molecular formula C8H9F2N5 and a molecular weight of 213.19 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
PubChem CID79099068
Molecular FormulaC8H9F2N5
Molecular Weight213.19 g/mol
Exact Mass213.08
IUPAC NameN-(2,2-difluoroethyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCc1nnc2c(NCC(F)F)nccn12
InChIInChI=1S/C8H9F2N5/c1-5-13-14-8-7(12-4-6(9)10)11-2-3-15(5)8/h2-3,6H,4H2,1H3,(H,11,12)
InChIKeySHZMTHDAFLPNAI-UHFFFAOYSA-N
XLogP1.11
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The IUPAC name of N-(2,2-difluoroethyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (CID 79099068) is N-(2,2-difluoroethyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is Cc1nnc2c(NCC(F)F)nccn12.
What is the InChIKey of N-(2,2-difluoroethyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The InChIKey is SHZMTHDAFLPNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2N5/c1-5-13-14-8-7(12-4-6(9)10)11-2-3-15(5)8/h2-3,6H,4H2,1H3,(H,11,12).
What are the key properties of N-(2,2-difluoroethyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
N-(2,2-difluoroethyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine has a molecular weight of 213.19 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is sourced from PubChem (CID 79099068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).