[5-[(3-methoxy-3-methylbutoxy)methyl]pyrazin-2-yl]hydrazine

C11H20N4O2 — CID 106667301

IUPAC[5-[(3-methoxy-3-methylbutoxy)methyl]pyrazin-2-yl]hydrazine
SMILESCOC(C)(C)CCOCc1cnc(NN)cn1
InChIInChI=1S/C11H20N4O2/c1-11(2,16-3)4-5-17-8-9-6-14-10(15-12)7-13-9/h6-7H,4-5,8,12H2,1-3H3,(H,14,15)
InChIKeyHHLKSVRNKZSMIW-UHFFFAOYSA-N
MW240.31 g/mol
LogP1.09
Rot. Bonds7

About [5-[(3-methoxy-3-methylbutoxy)methyl]pyrazin-2-yl]hydrazine

[5-[(3-methoxy-3-methylbutoxy)methyl]pyrazin-2-yl]hydrazine (PubChem CID 106667301) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is [5-[(3-methoxy-3-methylbutoxy)methyl]pyrazin-2-yl]hydrazine.

Molecular Properties

Compound Name[5-[(3-methoxy-3-methylbutoxy)methyl]pyrazin-2-yl]hydrazine
PubChem CID106667301
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name[5-[(3-methoxy-3-methylbutoxy)methyl]pyrazin-2-yl]hydrazine
SMILESCOC(C)(C)CCOCc1cnc(NN)cn1
InChIInChI=1S/C11H20N4O2/c1-11(2,16-3)4-5-17-8-9-6-14-10(15-12)7-13-9/h6-7H,4-5,8,12H2,1-3H3,(H,14,15)
InChIKeyHHLKSVRNKZSMIW-UHFFFAOYSA-N
XLogP1.09
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[5-(2-cyclopropylethoxymethyl)pyrazin-2-yl]hydrazine
CID 106205279
5-(3,3-dimethylbutoxymethyl)-N-methylpyrazin-2-amine
CID 103059229
5-(3,3-dimethylbutoxymethyl)-N-propylpyrazin-2-amine
CID 103059228
[5-(phenylmethoxymethyl)pyrazin-2-yl]hydrazine
CID 103061763
[5-(2,2,3,3-tetrafluoropropoxymethyl)pyrazin-2-yl]hydrazine
CID 103061744
[5-[(2-bromo-4-methoxyphenoxy)methyl]pyrazin-2-yl]hydrazine
CID 103061987
N-propyl-5-(4,4,4-trifluorobutoxymethyl)pyrazin-2-amine
CID 103059360
(5-propylpyrazin-2-yl)hydrazine
CID 123407613
[5-[(2-bromophenoxy)methyl]pyrazin-2-yl]hydrazine
CID 103061839
1-(5-hydrazinylpyrazin-2-yl)-N,N-dimethylmethanamine
CID 103060816
5-(2-butoxyethoxymethyl)-N-propylpyrazin-2-amine
CID 103058513
4-[(3-methoxy-3-methylbutoxy)methyl]pyridin-2-amine
CID 106667203

Frequently Asked Questions

What is the IUPAC name of [5-[(3-methoxy-3-methylbutoxy)methyl]pyrazin-2-yl]hydrazine?
The IUPAC name of [5-[(3-methoxy-3-methylbutoxy)methyl]pyrazin-2-yl]hydrazine (CID 106667301) is [5-[(3-methoxy-3-methylbutoxy)methyl]pyrazin-2-yl]hydrazine.
What is the SMILES notation for [5-[(3-methoxy-3-methylbutoxy)methyl]pyrazin-2-yl]hydrazine?
The canonical SMILES for [5-[(3-methoxy-3-methylbutoxy)methyl]pyrazin-2-yl]hydrazine is COC(C)(C)CCOCc1cnc(NN)cn1.
What is the InChIKey of [5-[(3-methoxy-3-methylbutoxy)methyl]pyrazin-2-yl]hydrazine?
The InChIKey is HHLKSVRNKZSMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-11(2,16-3)4-5-17-8-9-6-14-10(15-12)7-13-9/h6-7H,4-5,8,12H2,1-3H3,(H,14,15).
What are the key properties of [5-[(3-methoxy-3-methylbutoxy)methyl]pyrazin-2-yl]hydrazine?
[5-[(3-methoxy-3-methylbutoxy)methyl]pyrazin-2-yl]hydrazine has a molecular weight of 240.31 g/mol, XLogP of 1.09, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(3-methoxy-3-methylbutoxy)methyl]pyrazin-2-yl]hydrazine is sourced from PubChem (CID 106667301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).