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

C10H13F2N5O — CID 103081515

IUPACN-[2-(2,2-difluoroethoxy)ethyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCc1nnc2c(NCCOCC(F)F)nccn12
InChIInChI=1S/C10H13F2N5O/c1-7-15-16-10-9(13-2-4-17(7)10)14-3-5-18-6-8(11)12/h2,4,8H,3,5-6H2,1H3,(H,13,14)
InChIKeyASNPOVHYRRMEQR-UHFFFAOYSA-N
MW257.24 g/mol
LogP1.13
Rot. Bonds6

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

N-[2-(2,2-difluoroethoxy)ethyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (PubChem CID 103081515) has the molecular formula C10H13F2N5O and a molecular weight of 257.24 g/mol. Its IUPAC name is N-[2-(2,2-difluoroethoxy)ethyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.

Molecular Properties

Compound NameN-[2-(2,2-difluoroethoxy)ethyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
PubChem CID103081515
Molecular FormulaC10H13F2N5O
Molecular Weight257.24 g/mol
Exact Mass257.11
IUPAC NameN-[2-(2,2-difluoroethoxy)ethyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCc1nnc2c(NCCOCC(F)F)nccn12
InChIInChI=1S/C10H13F2N5O/c1-7-15-16-10-9(13-2-4-17(7)10)14-3-5-18-6-8(11)12/h2,4,8H,3,5-6H2,1H3,(H,13,14)
InChIKeyASNPOVHYRRMEQR-UHFFFAOYSA-N
XLogP1.13
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (CID 103081515) is N-[2-(2,2-difluoroethoxy)ethyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.
What is the SMILES notation for N-[2-(2,2-difluoroethoxy)ethyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The canonical SMILES for N-[2-(2,2-difluoroethoxy)ethyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is Cc1nnc2c(NCCOCC(F)F)nccn12.
What is the InChIKey of N-[2-(2,2-difluoroethoxy)ethyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The InChIKey is ASNPOVHYRRMEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N5O/c1-7-15-16-10-9(13-2-4-17(7)10)14-3-5-18-6-8(11)12/h2,4,8H,3,5-6H2,1H3,(H,13,14).
What are the key properties of N-[2-(2,2-difluoroethoxy)ethyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
N-[2-(2,2-difluoroethoxy)ethyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine has a molecular weight of 257.24 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-difluoroethoxy)ethyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is sourced from PubChem (CID 103081515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).