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

C9H13N5O — CID 103721615

IUPACN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine
SMILESCc1nc(CNCc2ccnn2C)no1
InChIInChI=1S/C9H13N5O/c1-7-12-9(13-15-7)6-10-5-8-3-4-11-14(8)2/h3-4,10H,5-6H2,1-2H3
InChIKeyLITVWMJDAVUELB-UHFFFAOYSA-N
MW207.24 g/mol
LogP0.40
Rot. Bonds4

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

N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine (PubChem CID 103721615) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine.

Molecular Properties

Compound NameN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine
PubChem CID103721615
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC NameN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine
SMILESCc1nc(CNCc2ccnn2C)no1
InChIInChI=1S/C9H13N5O/c1-7-12-9(13-15-7)6-10-5-8-3-4-11-14(8)2/h3-4,10H,5-6H2,1-2H3
InChIKeyLITVWMJDAVUELB-UHFFFAOYSA-N
XLogP0.40
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 ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-3-[(2-methylpyrazol-3-yl)methyl]-1,2,4-oxadiazole
CID 131114204
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine
CID 106417671
1-(4-methylphenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 19618976
1-(4-ethylphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
CID 103721561
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 113229292
N-[(2-methylpyrazol-3-yl)methyl]-1-pyridin-4-ylmethanamine
CID 19626583
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine
CID 107911776
1-(5-ethylfuran-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
CID 107234150
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanamine
CID 113248219
1-(3,4-dibromophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
CID 114078698
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine
CID 103721585
1-(1-ethylpyrrol-3-yl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 66414611

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine?
The IUPAC name of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine (CID 103721615) is N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine.
What is the SMILES notation for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine?
The canonical SMILES for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine is Cc1nc(CNCc2ccnn2C)no1.
What is the InChIKey of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine?
The InChIKey is LITVWMJDAVUELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c1-7-12-9(13-15-7)6-10-5-8-3-4-11-14(8)2/h3-4,10H,5-6H2,1-2H3.
What are the key properties of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine?
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine has a molecular weight of 207.24 g/mol, XLogP of 0.40, 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-(2-methylpyrazol-3-yl)methanamine is sourced from PubChem (CID 103721615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).