3-methyl-N-[(4-methyl-3-pyridinyl)methyl]-1,2,4-oxadiazol-5-amine

C10H12N4O — CID 106659990

IUPAC3-methyl-N-[(4-methyl-3-pyridinyl)methyl]-1,2,4-oxadiazol-5-amine
SMILESCc1noc(NCc2cnccc2C)n1
InChIInChI=1S/C10H12N4O/c1-7-3-4-11-5-9(7)6-12-10-13-8(2)14-15-10/h3-5H,6H2,1-2H3,(H,12,13,14)
InChIKeySHMAJBLCJCYSTC-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.69
Rot. Bonds3

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

3-methyl-N-[(4-methyl-3-pyridinyl)methyl]-1,2,4-oxadiazol-5-amine (PubChem CID 106659990) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 3-methyl-N-[(4-methyl-3-pyridinyl)methyl]-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-methyl-N-[(4-methyl-3-pyridinyl)methyl]-1,2,4-oxadiazol-5-amine
PubChem CID106659990
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name3-methyl-N-[(4-methyl-3-pyridinyl)methyl]-1,2,4-oxadiazol-5-amine
SMILESCc1noc(NCc2cnccc2C)n1
InChIInChI=1S/C10H12N4O/c1-7-3-4-11-5-9(7)6-12-10-13-8(2)14-15-10/h3-5H,6H2,1-2H3,(H,12,13,14)
InChIKeySHMAJBLCJCYSTC-UHFFFAOYSA-N
XLogP1.69
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(4-methyl-3-pyridinyl)methyl]-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-methyl-N-[(4-methyl-3-pyridinyl)methyl]-1,2,4-oxadiazol-5-amine (CID 106659990) is 3-methyl-N-[(4-methyl-3-pyridinyl)methyl]-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-methyl-N-[(4-methyl-3-pyridinyl)methyl]-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-methyl-N-[(4-methyl-3-pyridinyl)methyl]-1,2,4-oxadiazol-5-amine is Cc1noc(NCc2cnccc2C)n1.
What is the InChIKey of 3-methyl-N-[(4-methyl-3-pyridinyl)methyl]-1,2,4-oxadiazol-5-amine?
The InChIKey is SHMAJBLCJCYSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-7-3-4-11-5-9(7)6-12-10-13-8(2)14-15-10/h3-5H,6H2,1-2H3,(H,12,13,14).
What are the key properties of 3-methyl-N-[(4-methyl-3-pyridinyl)methyl]-1,2,4-oxadiazol-5-amine?
3-methyl-N-[(4-methyl-3-pyridinyl)methyl]-1,2,4-oxadiazol-5-amine has a molecular weight of 204.23 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(4-methyl-3-pyridinyl)methyl]-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 106659990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).