N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-(4-chlorophenyl)-N-methyl-1-pyrazin-2-ylmethanamine

C16H17ClN6O — CID 120753056

IUPACN-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-(4-chlorophenyl)-N-methyl-1-pyrazin-2-ylmethanamine
SMILESCN(Cc1noc(CN)n1)C(c1ccc(Cl)cc1)c1cnccn1
InChIInChI=1S/C16H17ClN6O/c1-23(10-14-21-15(8-18)24-22-14)16(13-9-19-6-7-20-13)11-2-4-12(17)5-3-11/h2-7,9,16H,8,10,18H2,1H3
InChIKeySQDMAUCOJTUXDI-UHFFFAOYSA-N
MW344.81 g/mol
LogP2.19
Rot. Bonds6

About N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-(4-chlorophenyl)-N-methyl-1-pyrazin-2-ylmethanamine

N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-(4-chlorophenyl)-N-methyl-1-pyrazin-2-ylmethanamine (PubChem CID 120753056) has the molecular formula C16H17ClN6O and a molecular weight of 344.81 g/mol. Its IUPAC name is N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-(4-chlorophenyl)-N-methyl-1-pyrazin-2-ylmethanamine.

Molecular Properties

Compound NameN-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-(4-chlorophenyl)-N-methyl-1-pyrazin-2-ylmethanamine
PubChem CID120753056
Molecular FormulaC16H17ClN6O
Molecular Weight344.81 g/mol
Exact Mass344.12
IUPAC NameN-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-(4-chlorophenyl)-N-methyl-1-pyrazin-2-ylmethanamine
SMILESCN(Cc1noc(CN)n1)C(c1ccc(Cl)cc1)c1cnccn1
InChIInChI=1S/C16H17ClN6O/c1-23(10-14-21-15(8-18)24-22-14)16(13-9-19-6-7-20-13)11-2-4-12(17)5-3-11/h2-7,9,16H,8,10,18H2,1H3
InChIKeySQDMAUCOJTUXDI-UHFFFAOYSA-N
XLogP2.19
TPSA93.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.81
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-(4-chlorophenyl)-N-methylethanamine;hydrochloride
CID 120750945
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-(2,4-dichlorophenyl)-N-methylethanamine
CID 120750954
1-(4-chlorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)-1-pyrazin-2-ylmethanamine;hydrochloride
CID 120850111
2-chloro-N-[(4-chlorophenyl)-pyrazin-2-ylmethyl]-N-methylpropanamide
CID 146086024
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-(2-chlorophenyl)-N,2-dimethylpropan-1-amine;hydrochloride
CID 120751954
N-[(S)-(4-chlorophenyl)-pyrazin-2-ylmethyl]-N-methylpent-4-enamide
CID 97222002
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-pyridin-3-ylethanamine
CID 71908460
[3-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
CID 120750716
[3-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120750529
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-methyl-1-(2-methylphenyl)ethanamine;hydrochloride
CID 120750955
N-[(4-chlorophenyl)-pyrazin-2-ylmethyl]-N-methyloxane-3-carboxamide
CID 75424625
4-chloro-N-[[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 79078244

Frequently Asked Questions

What is the IUPAC name of N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-(4-chlorophenyl)-N-methyl-1-pyrazin-2-ylmethanamine?
The IUPAC name of N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-(4-chlorophenyl)-N-methyl-1-pyrazin-2-ylmethanamine (CID 120753056) is N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-(4-chlorophenyl)-N-methyl-1-pyrazin-2-ylmethanamine.
What is the SMILES notation for N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-(4-chlorophenyl)-N-methyl-1-pyrazin-2-ylmethanamine?
The canonical SMILES for N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-(4-chlorophenyl)-N-methyl-1-pyrazin-2-ylmethanamine is CN(Cc1noc(CN)n1)C(c1ccc(Cl)cc1)c1cnccn1.
What is the InChIKey of N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-(4-chlorophenyl)-N-methyl-1-pyrazin-2-ylmethanamine?
The InChIKey is SQDMAUCOJTUXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN6O/c1-23(10-14-21-15(8-18)24-22-14)16(13-9-19-6-7-20-13)11-2-4-12(17)5-3-11/h2-7,9,16H,8,10,18H2,1H3.
What are the key properties of N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-(4-chlorophenyl)-N-methyl-1-pyrazin-2-ylmethanamine?
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-(4-chlorophenyl)-N-methyl-1-pyrazin-2-ylmethanamine has a molecular weight of 344.81 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-(4-chlorophenyl)-N-methyl-1-pyrazin-2-ylmethanamine is sourced from PubChem (CID 120753056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).