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

C9H13N5O — CID 106105459

IUPAC3-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-1,2,4-oxadiazol-5-amine
SMILESCc1noc(NCCc2ccn(C)n2)n1
InChIInChI=1S/C9H13N5O/c1-7-11-9(15-13-7)10-5-3-8-4-6-14(2)12-8/h4,6H,3,5H2,1-2H3,(H,10,11,13)
InChIKeyWEDWPAAFQWYWOX-UHFFFAOYSA-N
MW207.24 g/mol
LogP0.77
Rot. Bonds4

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

3-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-1,2,4-oxadiazol-5-amine (PubChem CID 106105459) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is 3-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-1,2,4-oxadiazol-5-amine
PubChem CID106105459
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC Name3-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-1,2,4-oxadiazol-5-amine
SMILESCc1noc(NCCc2ccn(C)n2)n1
InChIInChI=1S/C9H13N5O/c1-7-11-9(15-13-7)10-5-3-8-4-6-14(2)12-8/h4,6H,3,5H2,1-2H3,(H,10,11,13)
InChIKeyWEDWPAAFQWYWOX-UHFFFAOYSA-N
XLogP0.77
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 ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-N,2,5-trimethyl-4-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 106106808
2-methyl-4-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 106106755
4-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-1,3-thiazol-2-amine
CID 106105461
3-chloro-5,6-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrazin-2-amine
CID 106106127
2-N-[2-(1-methylpyrazol-3-yl)ethyl]-1,3-benzoxazole-2,6-diamine
CID 106104020
6-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridazin-3-amine
CID 106105393
3-methyl-N-[2-(triazol-1-yl)ethyl]-1,2,4-oxadiazol-5-amine
CID 106659902
2,2-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 104626821
2-methyl-N-[3-(1-methylpyrazol-3-yl)propyl]propan-2-amine
CID 82878363
6-hydrazinyl-5-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine
CID 106106901
5-methyl-2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,3-diamine
CID 106104117
2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrazine-2,6-diamine
CID 104626530

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-1,2,4-oxadiazol-5-amine (CID 106105459) is 3-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-1,2,4-oxadiazol-5-amine is Cc1noc(NCCc2ccn(C)n2)n1.
What is the InChIKey of 3-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-1,2,4-oxadiazol-5-amine?
The InChIKey is WEDWPAAFQWYWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c1-7-11-9(15-13-7)10-5-3-8-4-6-14(2)12-8/h4,6H,3,5H2,1-2H3,(H,10,11,13).
What are the key properties of 3-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-1,2,4-oxadiazol-5-amine?
3-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-1,2,4-oxadiazol-5-amine has a molecular weight of 207.24 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 106105459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).