N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine

C11H17N5O — CID 113229292

IUPACN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine
SMILESCc1nc(CNCc2c(C)nn(C)c2C)no1
InChIInChI=1S/C11H17N5O/c1-7-10(8(2)16(4)14-7)5-12-6-11-13-9(3)17-15-11/h12H,5-6H2,1-4H3
InChIKeyKIDSEIFDSVWWTH-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.02
Rot. Bonds4

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

N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine (PubChem CID 113229292) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine.

Molecular Properties

Compound NameN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine
PubChem CID113229292
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC NameN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine
SMILESCc1nc(CNCc2c(C)nn(C)c2C)no1
InChIInChI=1S/C11H17N5O/c1-7-10(8(2)16(4)14-7)5-12-6-11-13-9(3)17-15-11/h12H,5-6H2,1-4H3
InChIKeyKIDSEIFDSVWWTH-UHFFFAOYSA-N
XLogP1.02
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 113229290
1-(5-methoxy-1,3-dimethylpyrazol-4-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
CID 107234184
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine
CID 103721615
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanamine
CID 113248219
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]but-2-yn-1-amine
CID 79006322
2,2-difluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 78958688
1-(3-tert-butyl-1-methylpyrazol-4-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
CID 107234153
N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine
CID 114186077
1-pyridin-4-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 28670467
3,3-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]butan-1-amine
CID 112727542
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 113246429
1-(4-bromothiophen-2-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 60957957

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine?
The IUPAC name of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine (CID 113229292) is N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine.
What is the SMILES notation for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine?
The canonical SMILES for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine is Cc1nc(CNCc2c(C)nn(C)c2C)no1.
What is the InChIKey of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine?
The InChIKey is KIDSEIFDSVWWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-7-10(8(2)16(4)14-7)5-12-6-11-13-9(3)17-15-11/h12H,5-6H2,1-4H3.
What are the key properties of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine?
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine has a molecular weight of 235.29 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine is sourced from PubChem (CID 113229292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).