2-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-N-propylpyrazine-2,6-diamine

C11H16N6O — CID 80813147

IUPAC2-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-N-propylpyrazine-2,6-diamine
SMILESCCCNc1cncc(NCc2nc(C)no2)n1
InChIInChI=1S/C11H16N6O/c1-3-4-13-9-5-12-6-10(16-9)14-7-11-15-8(2)17-18-11/h5-6H,3-4,7H2,1-2H3,(H2,13,14,16)
InChIKeySXHJOUMFLMVJFL-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.60
Rot. Bonds6

About 2-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-N-propylpyrazine-2,6-diamine

2-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-N-propylpyrazine-2,6-diamine (PubChem CID 80813147) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is 2-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-N-propylpyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-N-propylpyrazine-2,6-diamine
PubChem CID80813147
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name2-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-N-propylpyrazine-2,6-diamine
SMILESCCCNc1cncc(NCc2nc(C)no2)n1
InChIInChI=1S/C11H16N6O/c1-3-4-13-9-5-12-6-10(16-9)14-7-11-15-8(2)17-18-11/h5-6H,3-4,7H2,1-2H3,(H2,13,14,16)
InChIKeySXHJOUMFLMVJFL-UHFFFAOYSA-N
XLogP1.60
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-N-propylpyrazine-2,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-N-propylpyrazine-2,6-diamine
CID 106424446
6-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-amine
CID 61015260
2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine
CID 62784912
6-N,2-dimethyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-4,6-diamine
CID 80813024
6-N-ethyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-2,4,6-triamine
CID 80813441
5-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-amine
CID 61311972
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-propylpyrimidin-4-amine
CID 61240534
2-methyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-4,6-diamine
CID 80813986
2-N-[(2-ethylphenyl)methyl]-6-N-propylpyrazine-2,6-diamine
CID 80845005
2-N-[(4-bromophenyl)methyl]-6-N-propylpyrazine-2,6-diamine
CID 80755206
2-N-[2-[di(propan-2-yl)amino]ethyl]-6-N-propylpyrazine-2,6-diamine
CID 80770603
6-chloro-N-propylpyrazin-2-amine
CID 26370207

Frequently Asked Questions

What is the IUPAC name of 2-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-N-propylpyrazine-2,6-diamine?
The IUPAC name of 2-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-N-propylpyrazine-2,6-diamine (CID 80813147) is 2-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-N-propylpyrazine-2,6-diamine.
What is the SMILES notation for 2-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-N-propylpyrazine-2,6-diamine?
The canonical SMILES for 2-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-N-propylpyrazine-2,6-diamine is CCCNc1cncc(NCc2nc(C)no2)n1.
What is the InChIKey of 2-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-N-propylpyrazine-2,6-diamine?
The InChIKey is SXHJOUMFLMVJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c1-3-4-13-9-5-12-6-10(16-9)14-7-11-15-8(2)17-18-11/h5-6H,3-4,7H2,1-2H3,(H2,13,14,16).
What are the key properties of 2-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-N-propylpyrazine-2,6-diamine?
2-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-N-propylpyrazine-2,6-diamine has a molecular weight of 248.29 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-N-propylpyrazine-2,6-diamine is sourced from PubChem (CID 80813147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).