N-methyl-2-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine

C9H13N5O — CID 65196540

IUPACN-methyl-2-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCNCCc1nc(-c2cnn(C)c2)no1
InChIInChI=1S/C9H13N5O/c1-10-4-3-8-12-9(13-15-8)7-5-11-14(2)6-7/h5-6,10H,3-4H2,1-2H3
InChIKeyLMDLNMIGIKRIRF-UHFFFAOYSA-N
MW207.24 g/mol
LogP0.23
Rot. Bonds4

About N-methyl-2-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine

N-methyl-2-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 65196540) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is N-methyl-2-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID65196540
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC NameN-methyl-2-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCNCCc1nc(-c2cnn(C)c2)no1
InChIInChI=1S/C9H13N5O/c1-10-4-3-8-12-9(13-15-8)7-5-11-14(2)6-7/h5-6,10H,3-4H2,1-2H3
InChIKeyLMDLNMIGIKRIRF-UHFFFAOYSA-N
XLogP0.23
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 79191349
6-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]hexan-1-amine
CID 65196396
4-methyl-3-[2-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]pentan-1-amine
CID 65196345
5-[(dimethylsulfamoylamino)methyl]-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole
CID 121195101
N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-4-carboxamide
CID 119104925
1-[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylmethanamine
CID 121199999
5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole
CID 79609646
N-methyl-3-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 65197557
2,3-dimethyl-2-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid
CID 65195176
2-[4-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]anilino]ethanol
CID 65196493
2-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 82809468
5-(diethoxymethyl)-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole
CID 65197961

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of N-methyl-2-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine (CID 65196540) is N-methyl-2-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for N-methyl-2-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine is CNCCc1nc(-c2cnn(C)c2)no1.
What is the InChIKey of N-methyl-2-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is LMDLNMIGIKRIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c1-10-4-3-8-12-9(13-15-8)7-5-11-14(2)6-7/h5-6,10H,3-4H2,1-2H3.
What are the key properties of N-methyl-2-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
N-methyl-2-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 207.24 g/mol, XLogP of 0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 65196540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).