N-[3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]pyrazin-2-amine;hydrochloride

C16H17ClN6O — CID 120860007

IUPACN-[3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]pyrazin-2-amine;hydrochloride
SMILESCl.NC1(c2noc(-c3cccc(Nc4cnccn4)c3)n2)CCC1
InChIInChI=1S/C16H16N6O.ClH/c17-16(5-2-6-16)15-21-14(23-22-15)11-3-1-4-12(9-11)20-13-10-18-7-8-19-13;/h1,3-4,7-10H,2,5-6,17H2,(H,19,20);1H
InChIKeyFWBUNIDXHMLDHM-UHFFFAOYSA-N
MW344.81 g/mol
LogP3.03
Rot. Bonds4

About N-[3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]pyrazin-2-amine;hydrochloride

N-[3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]pyrazin-2-amine;hydrochloride (PubChem CID 120860007) has the molecular formula C16H17ClN6O and a molecular weight of 344.81 g/mol. Its IUPAC name is N-[3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]pyrazin-2-amine;hydrochloride.

Molecular Properties

Compound NameN-[3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]pyrazin-2-amine;hydrochloride
PubChem CID120860007
Molecular FormulaC16H17ClN6O
Molecular Weight344.81 g/mol
Exact Mass344.12
IUPAC NameN-[3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]pyrazin-2-amine;hydrochloride
SMILESCl.NC1(c2noc(-c3cccc(Nc4cnccn4)c3)n2)CCC1
InChIInChI=1S/C16H16N6O.ClH/c17-16(5-2-6-16)15-21-14(23-22-15)11-3-1-4-12(9-11)20-13-10-18-7-8-19-13;/h1,3-4,7-10H,2,5-6,17H2,(H,19,20);1H
InChIKeyFWBUNIDXHMLDHM-UHFFFAOYSA-N
XLogP3.03
TPSA102.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.81
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]pyrazin-2-amine;hydrochloride with MolForge

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Related Compounds

1-[5-(3-propoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 62920379
1-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61354336
1-[5-(3-nitrophenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859522
1-[5-(2-pyrazol-1-yl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120860738
1-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine;hydrochloride
CID 120855657
1-[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863388
1-[5-[3-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120850426
N-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]oxolane-2-carboxamide;hydrochloride
CID 120852128
1-[5-[3-(methylsulfonylmethyl)phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120860209
3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-ethylbenzenesulfonamide
CID 120861710
1-[5-(3-nitrophenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61352509
1-[5-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863148

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]pyrazin-2-amine;hydrochloride?
The IUPAC name of N-[3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]pyrazin-2-amine;hydrochloride (CID 120860007) is N-[3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]pyrazin-2-amine;hydrochloride.
What is the SMILES notation for N-[3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]pyrazin-2-amine;hydrochloride?
The canonical SMILES for N-[3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]pyrazin-2-amine;hydrochloride is Cl.NC1(c2noc(-c3cccc(Nc4cnccn4)c3)n2)CCC1.
What is the InChIKey of N-[3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]pyrazin-2-amine;hydrochloride?
The InChIKey is FWBUNIDXHMLDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O.ClH/c17-16(5-2-6-16)15-21-14(23-22-15)11-3-1-4-12(9-11)20-13-10-18-7-8-19-13;/h1,3-4,7-10H,2,5-6,17H2,(H,19,20);1H.
What are the key properties of N-[3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]pyrazin-2-amine;hydrochloride?
N-[3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]pyrazin-2-amine;hydrochloride has a molecular weight of 344.81 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]pyrazin-2-amine;hydrochloride is sourced from PubChem (CID 120860007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).