2-(3-methylbutan-2-yl)-3-propoxypyrazine

C12H20N2O — CID 154190324

IUPAC2-(3-methylbutan-2-yl)-3-propoxypyrazine
SMILESCCCOc1nccnc1C(C)C(C)C
InChIInChI=1S/C12H20N2O/c1-5-8-15-12-11(10(4)9(2)3)13-6-7-14-12/h6-7,9-10H,5,8H2,1-4H3
InChIKeyMKXMEOJYZVRLLP-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.02
Rot. Bonds5

About 2-(3-methylbutan-2-yl)-3-propoxypyrazine

2-(3-methylbutan-2-yl)-3-propoxypyrazine (PubChem CID 154190324) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-(3-methylbutan-2-yl)-3-propoxypyrazine.

Molecular Properties

Compound Name2-(3-methylbutan-2-yl)-3-propoxypyrazine
PubChem CID154190324
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name2-(3-methylbutan-2-yl)-3-propoxypyrazine
SMILESCCCOc1nccnc1C(C)C(C)C
InChIInChI=1S/C12H20N2O/c1-5-8-15-12-11(10(4)9(2)3)13-6-7-14-12/h6-7,9-10H,5,8H2,1-4H3
InChIKeyMKXMEOJYZVRLLP-UHFFFAOYSA-N
XLogP3.02
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(3-methylbutan-2-yl)-3-propoxypyrazine 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

3-propoxypyrazin-2-amine
CID 102987993
3-propoxypyrazine-2-carbothioamide
CID 62683968
2-tert-butyl-3-[(2R)-3-methylbutan-2-yl]pyrazine
CID 135291647
3-iodo-2-propoxypyridine
CID 42553132
4-methoxy-1-(3-methoxypyrazin-2-yl)-3-methyl-N-propylbutan-1-amine
CID 105178681
N-ethyl-1-(3-methoxypyrazin-2-yl)-2,3-dimethylbutan-1-amine
CID 105032262
(3-methoxypyrazin-2-yl)-(3-propoxyphenyl)methanol
CID 104514492
[1-(3-methoxypyrazin-2-yl)-3-propoxypropyl]hydrazine
CID 105332633
2-propoxy-5-pyridin-4-ylpyridine-3-carbonitrile
CID 70050897
4-(2,3,5,6-tetrapropoxy-4-pyridin-4-ylphenyl)pyridine
CID 102441493
ethane;2-ethyl-3-propan-2-ylpyrazine
CID 145260795
1-(3-methoxypyrazin-2-yl)pentan-1-amine
CID 104515880

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutan-2-yl)-3-propoxypyrazine?
The IUPAC name of 2-(3-methylbutan-2-yl)-3-propoxypyrazine (CID 154190324) is 2-(3-methylbutan-2-yl)-3-propoxypyrazine.
What is the SMILES notation for 2-(3-methylbutan-2-yl)-3-propoxypyrazine?
The canonical SMILES for 2-(3-methylbutan-2-yl)-3-propoxypyrazine is CCCOc1nccnc1C(C)C(C)C.
What is the InChIKey of 2-(3-methylbutan-2-yl)-3-propoxypyrazine?
The InChIKey is MKXMEOJYZVRLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-5-8-15-12-11(10(4)9(2)3)13-6-7-14-12/h6-7,9-10H,5,8H2,1-4H3.
What are the key properties of 2-(3-methylbutan-2-yl)-3-propoxypyrazine?
2-(3-methylbutan-2-yl)-3-propoxypyrazine has a molecular weight of 208.30 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutan-2-yl)-3-propoxypyrazine is sourced from PubChem (CID 154190324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).