N-(2-chloroethyl)-N-(2,2-difluoroethyl)tetrazolo[1,5-a]pyrazin-5-amine

C8H9ClF2N6 — CID 107489756

IUPACN-(2-chloroethyl)-N-(2,2-difluoroethyl)tetrazolo[1,5-a]pyrazin-5-amine
SMILESFC(F)CN(CCCl)c1cncc2nnnn12
InChIInChI=1S/C8H9ClF2N6/c9-1-2-16(5-6(10)11)8-4-12-3-7-13-14-15-17(7)8/h3-4,6H,1-2,5H2
InChIKeyAEIFQZMVMXYBRI-UHFFFAOYSA-N
MW262.65 g/mol
LogP0.83
Rot. Bonds5

About N-(2-chloroethyl)-N-(2,2-difluoroethyl)tetrazolo[1,5-a]pyrazin-5-amine

N-(2-chloroethyl)-N-(2,2-difluoroethyl)tetrazolo[1,5-a]pyrazin-5-amine (PubChem CID 107489756) has the molecular formula C8H9ClF2N6 and a molecular weight of 262.65 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-(2,2-difluoroethyl)tetrazolo[1,5-a]pyrazin-5-amine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-(2,2-difluoroethyl)tetrazolo[1,5-a]pyrazin-5-amine
PubChem CID107489756
Molecular FormulaC8H9ClF2N6
Molecular Weight262.65 g/mol
Exact Mass262.05
IUPAC NameN-(2-chloroethyl)-N-(2,2-difluoroethyl)tetrazolo[1,5-a]pyrazin-5-amine
SMILESFC(F)CN(CCCl)c1cncc2nnnn12
InChIInChI=1S/C8H9ClF2N6/c9-1-2-16(5-6(10)11)8-4-12-3-7-13-14-15-17(7)8/h3-4,6H,1-2,5H2
InChIKeyAEIFQZMVMXYBRI-UHFFFAOYSA-N
XLogP0.83
TPSA59.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.65
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

8-Chloro-(1,2,3,4)tetrazolo(1,5-a)pyrazine
CID 12693190
8-Chloro-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 10220126
2-(Trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrazine
CID 53393357
3-(Difluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 86685649
5-Chloro-[1,2,3,4]tetrazolo[1,5-a]pyrazine
CID 45791852
8-Chloro-3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 64368692
3-(Chloromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 129918889
8-Chloro-3-(chloromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 131074135
8-Chloro-3-(chlorodifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 170911731
3-(Trifluoromethyl)-1,2,4-triazolo[4,3-a]piperazineHydrochloride
CID 67240883
6-Chloro-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 84070824
N,N-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-5-amine
CID 118136414

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-(2,2-difluoroethyl)tetrazolo[1,5-a]pyrazin-5-amine?
The IUPAC name of N-(2-chloroethyl)-N-(2,2-difluoroethyl)tetrazolo[1,5-a]pyrazin-5-amine (CID 107489756) is N-(2-chloroethyl)-N-(2,2-difluoroethyl)tetrazolo[1,5-a]pyrazin-5-amine.
What is the SMILES notation for N-(2-chloroethyl)-N-(2,2-difluoroethyl)tetrazolo[1,5-a]pyrazin-5-amine?
The canonical SMILES for N-(2-chloroethyl)-N-(2,2-difluoroethyl)tetrazolo[1,5-a]pyrazin-5-amine is FC(F)CN(CCCl)c1cncc2nnnn12.
What is the InChIKey of N-(2-chloroethyl)-N-(2,2-difluoroethyl)tetrazolo[1,5-a]pyrazin-5-amine?
The InChIKey is AEIFQZMVMXYBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF2N6/c9-1-2-16(5-6(10)11)8-4-12-3-7-13-14-15-17(7)8/h3-4,6H,1-2,5H2.
What are the key properties of N-(2-chloroethyl)-N-(2,2-difluoroethyl)tetrazolo[1,5-a]pyrazin-5-amine?
N-(2-chloroethyl)-N-(2,2-difluoroethyl)tetrazolo[1,5-a]pyrazin-5-amine has a molecular weight of 262.65 g/mol, XLogP of 0.83, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-(2,2-difluoroethyl)tetrazolo[1,5-a]pyrazin-5-amine is sourced from PubChem (CID 107489756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).